SCHEMBL10307745

SCHEMBL10307745

O=C(O)CCCCC(CCSCc1ccc(-c2ccccc2)cc1)SCc1ccc(-c2ccccc2)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP2C19 P33261 1/20 0.50
▸ PTGER1 P34995 1/20 0.47
▸ PTGER4 P35408 1/20 0.47
▸ PTGER3 P43115 1/20 0.47
▸ PTGER2 P43116 1/20 0.47
▸ FFAR1 O14842 2/20 0.44
▸ MMP13 P45452 2/20 0.43
▸ MMP12 P39900 1/20 0.43
▸ MMP1 P03956 1/20 0.42
▸ MMP2 P08253 1/20 0.42
▸ MMP3 P08254 1/20 0.42
▸ MMP7 P09237 1/20 0.42
▸ MMP9 P14780 1/20 0.42
▸ MME P08473 5/20 0.42
▸ ACE P12821 4/20 0.42
▸ FOLH1 Q04609 3/20 0.41
▸ ABCC4 O15439 1/20 0.40
▸ LMNA P02545 1/20 0.40
▸ GAA P10253 1/20 0.40
▸ TSHR P16473 1/20 0.40

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
Cpi 613 SCHEMBL1062218 0.92 CYP2C19 (0.59) CYP2C19PTGER1PTGER4PTGER3PTGER2
Cpi 613 SCHEMBL13333201 0.92 CYP2C19 (0.59) CYP2C19PTGER1PTGER4PTGER3PTGER2
SCHEMBL17381514 0.91 CYP2C19 (0.58) CYP2C19PTGER1PTGER4PTGER3PTGER2
SCHEMBL22299081 0.91 CYP2C19 (0.58) CYP2C19PTGER1PTGER4PTGER3PTGER2
SCHEMBL10307764 0.86 CYP2C19 (0.47) CYP2C19PTGER1PTGER4PTGER3PTGER2
SCHEMBL10307784 0.86 CYP2C19 (0.44) CYP2C19PTGER1PTGER4PTGER3PTGER2
SCHEMBL16375392 0.84 CYP1A2 (0.50) CYP2C19PTGER1PTGER4PTGER3PTGER2
SCHEMBL10307786 0.84 CYP1A2 (0.52) CYP2C19FFAR1
SCHEMBL20395792 0.84 CYP2C19 (0.63) CYP2C19PTGER1PTGER4PTGER3PTGER2
SCHEMBL10307777 0.84 CYP2C19 (0.52) CYP2C19PTGER1PTGER4PTGER3PTGER2

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 40 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220184212-A1 PHARMACEUTICAL FORMULATIONS CONTAINING LIPOIC ACID DERIVATIVES RAFAEL PHARMACEUTICALS INC (US) 2022-06-16 — — US disclosed
US-11065335-B2 Methods of treating leukemia using compositions containing bis(benzylthio)octanoic acid and ion pairs thereof RAFAEL PHARMACEUTICALS, INC. (US) 2021-07-20 — — US disclosed
US-10391177-B2 Methods for treating cancer using 6,8-bis (benzylthio) octanonic acid RAFAEL PHARMACEUTICALS, INC. (US) 2019-08-27 — — US disclosed
US-20190015512-A1 PHARMACEUTICAL FORMULATIONS CONTAINING LIPOIC ACID DERIVATIVES CORNERSTONE PHARMACEUTICALS, INC. 2019-01-17 — — US disclosed
US-20180104341-A1 PHARMACEUTICAL FORMULATIONS CONTAINING LIPOIC ACID DERIVATIVES RAFAEL PHARMACEUTICALS, INC. 2018-04-19 — — US disclosed
US-20180104341-A1 PHARMACEUTICAL FORMULATIONS CONTAINING LIPOIC ACID DERIVATIVES RAFAEL PHARMACEUTICALS, INC. 2018-04-19 — — US disclosed
US-9872845-B2 Methods of treating myeloma and lymphoma using compositions containing an ion pair of a lipoic acid derivative RAFAEL PHARMACEUTICALS, INC. (US) 2018-01-23 — — US disclosed
US-9872845-B2 Methods of treating myeloma and lymphoma using compositions containing an ion pair of a lipoic acid derivative RAFAEL PHARMACEUTICALS, INC. (US) 2018-01-23 — — US disclosed
US-9839691-B2 Methods of treating pancreatic and ovarian cancers using compositions containing an ion pair of a lipoic acid derivative RAFAEL PHARMACEUTICALS, INC. (US) 2017-12-12 — — US disclosed
US-9839691-B2 Methods of treating pancreatic and ovarian cancers using compositions containing an ion pair of a lipoic acid derivative RAFAEL PHARMACEUTICALS, INC. (US) 2017-12-12 — — US disclosed
US-20120178812-A1 Pharmaceutical Formulations Containing Lipoic Acid Derivatives RAFAEL PHARMACEUTICALS, INC. 2012-07-12 — — US disclosed
WO-2011050261-A1 PHARMACEUTICAL FORMULATIONS CONTAINING LIPOIC ACID DERIVATIVES CORNERSTONE PHARMACEUTICALS, INC. (US) 2011-04-28 — — WO disclosed
US-20100190858-A1 Pharmaceutical Formulations Containing Lipoic Acid Derivatives RAFAEL PHARMACEUTICALS, INC. 2010-07-29 — — US disclosed
US-20100190858-A1 Pharmaceutical Formulations Containing Lipoic Acid Derivatives RAFAEL PHARMACEUTICALS, INC. 2010-07-29 — — US disclosed
WO-2008131117-A1 LIPOIC ACID DERIVATIVES CORNERSTONE PHARMACEUTICALS, INC. (US) 2008-10-30 — — WO disclosed
WO-2008131114-A2 PHARMACEUTICAL FORMULATIONS CONTAINING LIPOIC ACID DERIVATIVES CORNERSTONE PHARMACEUTICALS, INC. (US) 2008-10-30 — — WO disclosed
US-20080262034-A1 selectively kill tumor cells by altering cancer cell metabolism and signal transduction pathways linked to the Warburg Effect; CORNERSTONE PHARMACEUTICALS, INC. 2008-10-23 — — US disclosed
US-20080262034-A1 selectively kill tumor cells by altering cancer cell metabolism and signal transduction pathways linked to the Warburg Effect; CORNERSTONE PHARMACEUTICALS, INC. 2008-10-23 — — US disclosed
US-20080262077-A1 formulations containing lipoic acid derivatives are made. CORNERSTONE PHARMACEUTICALS, INC. 2008-10-23 — — US disclosed
US-20080262077-A1 formulations containing lipoic acid derivatives are made. CORNERSTONE PHARMACEUTICALS, INC. 2008-10-23 — — US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (9 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20220184212-A1 PHARMACEUTICAL FORMULATIONS CONTAINING LIPOIC ACID DERIVATIVES SLC25A1, SLC25A21, SLC25A11 CYP2C19 500/4885PTGER1 1759/4885PTGER4 2343/4885
US-10391177-B2 Methods for treating cancer using 6,8-bis (benzylthio) octanonic acid ALOX15B, ALOX5, SLC25A21 CYP2C19 765/4885PTGER1 924/4885PTGER4 1845/4885
US-20180104341-A1 PHARMACEUTICAL FORMULATIONS CONTAINING LIPOIC ACID DERIVATIVES SLC25A1, SLC25A21, SLC25A11 CYP2C19 500/4885PTGER1 1759/4885PTGER4 2343/4885
US-20100190858-A1 Pharmaceutical Formulations Containing Lipoic Acid Derivatives SLC25A1, SLC25A21, SLC25A11 CYP2C19 500/4885PTGER1 1759/4885PTGER4 2343/4885
US-11065335-B2 Methods of treating leukemia using compositions containing bis(benzylthio)octanoic acid and ion pairs thereof MCL1, ALOX15, SLC10A6 CYP2C19 1513/4885PTGER1 1218/4885PTGER4 2769/4885
US-20120178812-A1 Pharmaceutical Formulations Containing Lipoic Acid Derivatives LIPA, LIPC, TTPA CYP2C19 295/4885PTGER1 1941/4885PTGER4 2228/4885
US-20080262034-A1 selectively kill tumor cells by altering cancer cell metabolism and signal transduction pathways linked to the Warburg Effect; DLD, SLC25A1, PDK2 CYP2C19 3913/4885PTGER1 1489/4885PTGER4 2570/4885
US-20190015512-A1 PHARMACEUTICAL FORMULATIONS CONTAINING LIPOIC ACID DERIVATIVES SLC25A1, SLC25A21, SLC25A11 CYP2C19 500/4885PTGER1 1759/4885PTGER4 2343/4885
US-20080262077-A1 formulations containing lipoic acid derivatives are made. TTPA, LIPA, LIPC CYP2C19 273/4885PTGER1 1623/4885PTGER4 1944/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.

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