SCHEMBL3277681

SCHEMBL3277681

CCS(=O)(=O)O.NC(=O)CCCCC(S)CCS

nearest known ligand 0.34

Known targets — ChEMBL curated mechanism

FGFR1FGFR2FGFR3FGFR4FLT1FLT4KDRPDGFRAPDGFRB

The experimentally established mechanism targets of None. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TP53 P04637 2/20 0.33
SLC22A6 Q4U2R8 1/20 0.33
ENPEP Q07075 4/20 0.33
SOAT1 P35610 2/20 0.33
MEN1 O00255 1/20 0.33
FAAH O00519 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2C19 P33261 1/20 0.33
KMT2A Q03164 1/20 0.33
ALDH1A1 P00352 1/20 0.31
ANPEP P15144 1/20 0.31
KDM4E B2RXH2 2/20 0.30
GSTK1 Q9Y2Q3 1/20 0.30

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
SCHEMBL3278910 0.98 TP53 (0.33) TP53SLC22A6ENPEPSOAT1MEN1
SCHEMBL3277556 0.98 TP53 (0.33) TP53SLC22A6ENPEPSOAT1MEN1
SCHEMBL3338585 0.98 TP53 (0.33) TP53SLC22A6ENPEPSOAT1MEN1
SCHEMBL37411 0.88 ENPEP (0.39) TP53ENPEPSOAT1MEN1FAAH
SCHEMBL2576303 0.86 ENPEP (0.38) TP53ENPEPSOAT1MEN1FAAH
Hexanoate SCHEMBL3278765 0.81 FFAR4 (0.51) SLC22A6ENPEPMEN1KMT2AALDH1A1
SCHEMBL9906231 0.74 PAOX (0.40) ENPEPALDH1A1ANPEPGSTK1
SCHEMBL3341655 0.73 FNTA (0.34) ENPEPGSTK1
SCHEMBL28063652 0.73 PTGS1 (0.44) SLC22A6CYP2C19
Dihydrolipoic Acid SCHEMBL867951 0.72 FOLH1 (0.56) SLC22A6ENPEPANPEPGSTK1

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040092586-A1 Novel a-lipoic acid derivative and use thereof SENJU PHARMACEUTICAL CO., LTD. (JP) 2004-05-13 US claimed
EP-1371640-A1 NOVEL A-LIPOIC ACID DERIVATIVE AND USE THEREOF Senju Pharmaceutical Co., Ltd. (JP) 2003-12-17 EP claimed
US-20100152288-A1 NOVEL a-LIPOIC ACID DERIVATIVES AND APPLICATIONS THEREOF SENJU PHARMACEUTICAL CO. LTD. (JP) 2010-06-17 US disclosed
US-7700080-B2 Method of suppressing melanin production by metal chelates of lipoyl amino acid derivatives SENJU PHARMACEUTICAL CO., LTD. (JP) 2010-04-20 US disclosed
EP-1371640-B1 NOVEL A-LIPOIC ACID DERIVATIVE AND USE THEREOF SENJU PHARMA CO (JP) 2009-10-28 EP disclosed
US-20040092586-A1 Novel a-lipoic acid derivative and use thereof SENJU PHARMACEUTICAL CO., LTD. (JP) 2004-05-13 US disclosed
EP-1371640-A1 NOVEL A-LIPOIC ACID DERIVATIVE AND USE THEREOF Senju Pharmaceutical Co., Ltd. (JP) 2003-12-17 EP 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 (2 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-20100152288-A1 NOVEL a-LIPOIC ACID DERIVATIVES AND APPLICATIONS THEREOF TYR, SERPINB1, LPO TP53 2588/4885SLC22A6 901/4885ENPEP 83/4885
US-20040092586-A1 Novel a-lipoic acid derivative and use thereof TYR, SERPINB1, LPO TP53 2771/4885SLC22A6 942/4885ENPEP 174/4885

“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.