SCHEMBL3787741

SCHEMBL3787741

O=C1CCCC1(Cc1cccnc1)C(=O)OCc1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CYP17A1 P05093 1/20 0.47
CYP19A1 P11511 1/20 0.47
KMT2A Q03164 2/20 0.47
LMNA P02545 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
DDB1 Q16531 1/20 0.44
CRBN Q96SW2 1/20 0.44
OPRK1 P41145 1/20 0.42
CHRNA7 P36544 1/20 0.39
NAPRT Q6XQN6 1/20 0.39
NAMPT P43490 1/20 0.39
ALDH1A1 P00352 1/20 0.38

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
SCHEMBL1041293 0.84 NAPRT (0.45) LMNANAPRTALDH1A1
SCHEMBL4806628 0.77 CYP3A4 (0.49) KMT2ALMNAOPRK1ALDH1A1
SCHEMBL3696556 0.76 DDB1 (0.49) DDB1CRBN
SCHEMBL3788196 0.76 DDB1 (0.42) LMNATDP1DDB1CRBNALDH1A1
SCHEMBL3789659 0.75 DDB1 (0.46) DDB1CRBN
SCHEMBL3776600 0.75 DDB1 (0.46) KMT2ALMNATDP1DDB1CRBN
SCHEMBL3781275 0.74 CYP17A1 (0.49) CYP17A1CYP19A1KMT2ALMNATDP1
SCHEMBL4809720 0.74 TACR1 (0.55) ALDH1A1
SCHEMBL16242486 0.74 CYP3A4 (0.39) KMT2ALMNADDB1CRBNALDH1A1
SCHEMBL28055381 0.72 DDB1 (0.64) KMT2ATDP1DDB1CRBNALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8309341-B2 2-mercaptocyclopentanecarboxylic acid compounds, a process for their preparation and pharmaceutical compositions containing them Les Laboratories Server (FR) 2012-11-13 US disclosed
US-20100330064-A1 2-mercaptocyclopentanecarboxylic acid compounds, a process for their preparation and pharmaceutical compositions containing them LES LABORATOIRES SERVIER (FR) 2010-12-30 US disclosed
CN-101928241-A 2-mercaptopentancarboxacid acid derivatives, its preparation method and contain their medicinal compositions SERVIER LAB 2010-12-29 CN 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-20100330064-A1 2-mercaptocyclopentanecarboxylic acid compounds, a process for their preparation and pharmaceutical compositions containing them CYP2B6, CYP2A6, MC5R CYP17A1 1179/4885CYP19A1 1554/4885KMT2A 3725/4885

“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.