SCHEMBL13342871

SCHEMBL13342871

COC(=O)[C@H](Cc1ccccc1)NC(=O)Oc1ccc(Cl)cc1C

nearest known ligand 0.54

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ PYGL P06737 1/20 0.54
▸ NOS2 P35228 3/20 0.54
▸ ATM Q13315 2/20 0.50
▸ ALDH1A1 P00352 1/20 0.49
▸ THRB P10828 1/20 0.49
▸ CYP2C9 P11712 1/20 0.49
▸ CYP2C19 P33261 1/20 0.49
▸ HSD17B10 Q99714 1/20 0.49
▸ NOS3 P29474 1/20 0.48
▸ NOS1 P29475 1/20 0.48
▸ L3MBTL1 Q9Y468 1/20 0.48
▸ SCN4A P35499 1/20 0.48
▸ POLB P06746 1/20 0.48
▸ NLRP3 Q96P20 2/20 0.47

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
SCHEMBL13342795 0.85 EPHX2 (0.55) PYGLATMALDH1A1SCN4A
SCHEMBL13342888 0.81 SCN4A (0.48) PYGLL3MBTL1SCN4A
SCHEMBL13342887 0.81 MAPT (0.47) L3MBTL1SCN4APOLB
SCHEMBL13342876 0.80 BACE1 (0.46) ALDH1A1CYP2C9POLB
SCHEMBL13342825 0.79 SCN4A (0.48) PYGLNOS2ALDH1A1THRBCYP2C9
SCHEMBL13342824 0.78 PSMB5 (0.48) PYGLALDH1A1THRBCYP2C9CYP2C19
SCHEMBL13342869 0.78 MEN1 (0.56) ALDH1A1CYP2C9
SCHEMBL28951854 0.78 ALDH1A1 (0.59) PYGLNOS2ATMALDH1A1THRB
SCHEMBL30174860 0.78 ALDH1A1 (0.59) PYGLNOS2ATMALDH1A1THRB
SCHEMBL13342797 0.77 SCN4A (0.60) ALDH1A1CYP2C9L3MBTL1SCN4A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100113770-A1 O-SUBSTITUTED HYDROXYARYL DERIVATIVES INSTITUTE OF MEDICINAL MOLECULAR DESIGN, INC. (JP) 2010-05-06 — — US disclosed
US-20100113770-A1 O-SUBSTITUTED HYDROXYARYL DERIVATIVES INSTITUTE OF MEDICINAL MOLECULAR DESIGN, INC. (JP) 2010-05-06 — — US disclosed
US-7626042-B2 O-substituted hydroxyaryl derivatives INSTITUTE OF MEDICINAL MOLECULAR DESIGN, INC. (JP) 2009-12-01 — — US disclosed
US-7626042-B2 O-substituted hydroxyaryl derivatives INSTITUTE OF MEDICINAL MOLECULAR DESIGN, INC. (JP) 2009-12-01 — — 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 (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-20100113770-A1 O-SUBSTITUTED HYDROXYARYL DERIVATIVES RELA, NFKBIA, NFE2 PYGL 662/4885NOS2 1134/4885ATM 1205/4885

“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.

Send feedback