SCHEMBL2330865

SCHEMBL2330865

CCOC(=O)[C@H](CCSC)NC(=O)c1ccccc1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.63
ALDH1A1 P00352 2/20 0.59
KMT2A Q03164 2/20 0.59
MEN1 O00255 1/20 0.59
CRHBP P24387 1/20 0.59
CRHR2 Q13324 1/20 0.59
TAS1R3 Q7RTX0 1/20 0.55
TAS1R1 Q7RTX1 1/20 0.55
PPID Q08752 1/20 0.54
NPC1 O15118 1/20 0.53
CA2 P00918 3/20 0.52
CA1 P00915 2/20 0.52
LMNA P02545 1/20 0.50
TSHR P16473 1/20 0.50
CCR1 P32246 1/20 0.49
CA12 O43570 1/20 0.49
CA9 Q16790 1/20 0.49
CYP26A1 O43174 1/20 0.48
USP2 O75604 1/20 0.48
TP53 P04637 1/20 0.48

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
SCHEMBL27974663 1.00 L3MBTL1 (0.63) L3MBTL1ALDH1A1KMT2AMEN1CRHBP
SCHEMBL27974764 0.90 L3MBTL1 (0.60) L3MBTL1ALDH1A1KMT2AMEN1CRHBP
SCHEMBL2327433 0.90 L3MBTL1 (0.60) L3MBTL1ALDH1A1KMT2AMEN1CRHBP
SCHEMBL18095164 0.89 L3MBTL1 (0.74) L3MBTL1ALDH1A1KMT2AMEN1CRHBP
SCHEMBL2323686 0.89 L3MBTL1 (0.74) L3MBTL1ALDH1A1KMT2AMEN1CRHBP
SCHEMBL6741958 0.87 RAB9A (0.49) L3MBTL1ALDH1A1KMT2AMEN1CRHBP
SCHEMBL10131060 0.85 CYP26A1 (0.51) ALDH1A1KMT2AMEN1CRHBPCRHR2
SCHEMBL1158033 0.84 CA2 (0.69) ALDH1A1KMT2AMEN1CRHBPCRHR2
SCHEMBL1158031 0.84 CA2 (0.69) ALDH1A1KMT2AMEN1CRHBPCRHR2
SCHEMBL9461939 0.84 CA2 (0.69) ALDH1A1KMT2AMEN1CRHBPCRHR2

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 6 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
CN-102215812-B Anti-wrinkle agents POLA CHEM IND INC 2014-09-10 CN 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 1901/4885ALDH1A1 2655/4885KMT2A 3153/4885

“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.