SCHEMBL10307804

SCHEMBL10307804

CSC(CCCCC(=O)O)CCSCc1ccccc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP2C19 P33261 1/20 0.56
▸ PTGER1 P34995 1/20 0.43
▸ PTGER4 P35408 1/20 0.43
▸ PTGER3 P43115 1/20 0.43
▸ PTGER2 P43116 1/20 0.43
▸ MAPT P10636 1/20 0.43
▸ RXFP1 Q9HBX9 1/20 0.43
▸ SMN1; SMN2 Q16637 2/20 0.41
▸ HDAC3 O15379 1/20 0.41
▸ MAPK1 P28482 1/20 0.41
▸ ADRA1A P35348 1/20 0.41
▸ HDAC4 P56524 1/20 0.41
▸ SLC6A3 Q01959 1/20 0.41
▸ HDAC1 Q13547 1/20 0.41
▸ HDAC7 Q8WUI4 1/20 0.41
▸ HDAC2 Q92769 1/20 0.41
▸ HDAC10 Q969S8 1/20 0.41
▸ HDAC11 Q96DB2 1/20 0.41
▸ HDAC8 Q9BY41 1/20 0.41
▸ HDAC6 Q9UBN7 1/20 0.41

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 SCHEMBL13333201 0.89 CYP2C19 (0.59) CYP2C19PTGER1PTGER4PTGER3PTGER2
Cpi 613 SCHEMBL1062218 0.89 CYP2C19 (0.59) CYP2C19PTGER1PTGER4PTGER3PTGER2
SCHEMBL22299081 0.88 CYP2C19 (0.58) CYP2C19PTGER1PTGER4PTGER3PTGER2
SCHEMBL17381514 0.88 CYP2C19 (0.58) CYP2C19PTGER1PTGER4PTGER3PTGER2
SCHEMBL10307821 0.85 CYP2C19 (0.55) CYP2C19PTGER1PTGER4PTGER3PTGER2
SCHEMBL10307777 0.83 CYP2C19 (0.52) CYP2C19PTGER1PTGER4PTGER3PTGER2
SCHEMBL10454113 0.82 CYP2C19 (0.46) CYP2C19MAPTRXFP1SMN1; SMN2HDAC3
SCHEMBL10307745 0.82 CYP2C19 (0.50) CYP2C19PTGER1PTGER4PTGER3PTGER2
SCHEMBL17381367 0.81 CYP2C19 (0.49) CYP2C19PTGER1PTGER4PTGER3PTGER2
SCHEMBL20395792 0.80 CYP2C19 (0.63) 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 19 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-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-20170056355-A1 PHARMACEUTICAL FORMULATIONS CONTAINING LIPOIC ACID DERIVATIVES CORNERSTONE PHARMACEUTICALS, INC. 2017-03-02 — — US disclosed
US-20170056355-A1 PHARMACEUTICAL FORMULATIONS CONTAINING LIPOIC ACID DERIVATIVES CORNERSTONE PHARMACEUTICALS, INC. 2017-03-02 — — US disclosed
US-20160220678-A1 PHARMACEUTICAL FORMULATIONS CONTAINING LIPOIC ACID DERIVATIVES RAFAEL PHARMACEUTICALS, INC. 2016-08-04 — — US disclosed
US-20160220678-A1 PHARMACEUTICAL FORMULATIONS CONTAINING LIPOIC ACID DERIVATIVES RAFAEL PHARMACEUTICALS, INC. 2016-08-04 — — US disclosed
US-9320726-B2 Methods of treating colon, lung, and liver cancers using compositions containing an ion pair of a lipoic acid derivative CORNERSTONE PHARMACEUTICALS, INC. (US) 2016-04-26 — — US disclosed
US-9320726-B2 Methods of treating colon, lung, and liver cancers using compositions containing an ion pair of a lipoic acid derivative CORNERSTONE PHARMACEUTICALS, INC. (US) 2016-04-26 — — US disclosed
US-20150011633-A1 PHARMACEUTICAL FORMULATIONS CONTAINING LIPOIC ACID DERIVATIVES CORNERSTONE PHARMACEUTICALS, INC. (US) 2015-01-08 — — US disclosed
US-20150011633-A1 PHARMACEUTICAL FORMULATIONS CONTAINING LIPOIC ACID DERIVATIVES CORNERSTONE PHARMACEUTICALS, INC. (US) 2015-01-08 — — US disclosed
EP-2144609-B1 PHARMACEUTICAL FORMULATIONS CONTAINING LIPOIC ACID DERIVATIVES CORNERSTONE PHARMACEUTICALS INC (US) 2014-10-29 — — EP disclosed
US-20130150445-A1 Pharmaceutical Formulations Containing Lipoic Acid Derivatives SHORR ROBERT G L (US) 2013-06-13 — — US disclosed
US-20130150445-A1 Pharmaceutical Formulations Containing Lipoic Acid Derivatives SHORR ROBERT G L (US) 2013-06-13 — — US disclosed
US-8263653-B2 Pharmaceutical formulations containing lipoic acid derivatives CORNERSTONE PHARMACEUTICALS, INC. (US) 2012-09-11 — — US disclosed
US-20120178812-A1 Pharmaceutical Formulations Containing Lipoic Acid Derivatives RAFAEL PHARMACEUTICALS, INC. 2012-07-12 — — US disclosed
US-20100190858-A1 Pharmaceutical Formulations Containing Lipoic Acid Derivatives RAFAEL PHARMACEUTICALS, INC. 2010-07-29 — — 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 (8 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-20180104341-A1 PHARMACEUTICAL FORMULATIONS CONTAINING LIPOIC ACID DERIVATIVES SLC25A1, SLC25A21, SLC25A11 CYP2C19 500/4885PTGER1 1759/4885PTGER4 2343/4885
US-20160220678-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-20170056355-A1 PHARMACEUTICAL FORMULATIONS CONTAINING LIPOIC ACID DERIVATIVES LIPA, LIPC, TTPA CYP2C19 295/4885PTGER1 1941/4885PTGER4 2228/4885
US-20120178812-A1 Pharmaceutical Formulations Containing Lipoic Acid Derivatives LIPA, LIPC, TTPA CYP2C19 295/4885PTGER1 1941/4885PTGER4 2228/4885
US-20130150445-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
US-20150011633-A1 PHARMACEUTICAL FORMULATIONS CONTAINING LIPOIC ACID DERIVATIVES LIPA, LIPC, TTPA CYP2C19 295/4885PTGER1 1941/4885PTGER4 2228/4885

“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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