SCHEMBL2328031

SCHEMBL2328031

COC(=O)[C@H](CCSC)NC(=O)Cc1ccccc1

nearest known ligand 0.56

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.56
POLB P06746 1/20 0.55
TSHR P16473 1/20 0.55
CYP3A4 P08684 1/20 0.54
CYP2C19 P33261 1/20 0.54
HTT P42858 1/20 0.53
TAS1R3 Q7RTX0 2/20 0.53
TAS1R1 Q7RTX1 2/20 0.53
GAA P10253 2/20 0.52
USP2 O75604 1/20 0.52
KMT2A Q03164 1/20 0.51
FNTA P49354 2/20 0.50
FNTB P49356 2/20 0.50
PGGT1B P53609 1/20 0.50
CA12 O43570 1/20 0.50
CA1 P00915 1/20 0.50
CA2 P00918 1/20 0.50
CA9 Q16790 1/20 0.50

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
SCHEMBL2328029 1.00 L3MBTL1 (0.56) L3MBTL1POLBTSHRCYP3A4CYP2C19
SCHEMBL2330760 0.90 PPID (0.55) L3MBTL1POLBFNTAFNTBPGGT1B
SCHEMBL2330757 0.90 PPID (0.55) L3MBTL1POLBFNTAFNTBPGGT1B
SCHEMBL2331097 0.87 FNTA (0.61) POLBFNTAFNTBPGGT1B
SCHEMBL2331099 0.87 FNTA (0.61) POLBFNTAFNTBPGGT1B
SCHEMBL6136477 0.87 POLB (0.52) POLBTSHRFNTAFNTBPGGT1B
SCHEMBL2334148 0.87 POLB (0.52) L3MBTL1POLBTSHRFNTAFNTB
SCHEMBL4422071 0.87 POLB (0.52) POLBTSHRFNTAFNTBPGGT1B
SCHEMBL2334144 0.87 POLB (0.52) L3MBTL1POLBTSHRFNTAFNTB
SCHEMBL8306505 0.85 OPRK1 (0.58) L3MBTL1POLBTSHRCYP3A4CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2356979-B1 ANTI-WRINKLE AGENTS POLA CHEM IND INC (JP) 2017-10-25 EP disclosed
EP-3173063-A1 ANTI-WRINKLE AGENTS Pola Chemical Industries Inc. (JP) 2017-05-31 EP disclosed
US-8835498-B2 Anti-wrinkle agents POLA CHEMICAL INDUSTRIES INC. (JP) 2014-09-16 US disclosed
US-20110245343-A1 ANTI-WRINKLE AGENTS POLA CHEMICAL INDUSTRIES INC. (JP) 2011-10-06 US disclosed
EP-2356979-A1 ANTI-WRINKLE AGENTS Pola Chemical Industries Inc. (JP) 2011-08-17 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 (1 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-20110245343-A1 ANTI-WRINKLE AGENTS GLA, H1-4, H1-3 L3MBTL1 1901/4885POLB 1044/4885TSHR 2600/4885

“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.