SCHEMBL13342811

SCHEMBL13342811

Cc1cc(Cl)ccc1OC(=O)[C@H](CC(C)C)NC(=O)[C@@H](N)Cc1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ SCN4A P35499 1/20 0.47
▸ LTA4H P09960 1/20 0.47
▸ PSMB5 P28074 1/20 0.46
▸ LMNA P02545 1/20 0.45
▸ MAPT P10636 1/20 0.45
▸ BIRC2 Q13490 1/20 0.45
▸ OPRK1 P41145 5/20 0.44
▸ OPRM1 P35372 2/20 0.44
▸ OPRD1 P41143 2/20 0.44
▸ MME P08473 1/20 0.43
▸ HDAC8 Q9BY41 1/20 0.43

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
SCHEMBL13342824 0.92 PSMB5 (0.48) SCN4APSMB5LMNAMAPTOPRK1
SCHEMBL13607652 0.90 LTA4H (0.48) LTA4HBIRC2OPRK1OPRM1OPRD1
SCHEMBL13342817 0.87 TAS1R3 (0.43) PSMB5LMNAMAPT
SCHEMBL13342825 0.85 SCN4A (0.48) SCN4APSMB5LMNAMAPTOPRK1
SCHEMBL13342809 0.83 REN (0.60) PSMB5
SCHEMBL13342797 0.83 SCN4A (0.60) SCN4ALMNAMAPTOPRM1OPRD1
SCHEMBL13342823 0.82 TAS1R3 (0.41) OPRK1MME
SCHEMBL13607818 0.82 POLB (0.46) LTA4HOPRK1OPRM1OPRD1
SCHEMBL16153110 0.80 TAS1R3 (0.47) LMNA
SCHEMBL9011222 0.80 LTA4H (0.57) LTA4HBIRC2OPRK1MME

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-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

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 SCN4A 1587/4885LTA4H 1236/4885PSMB5 1338/4885

“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.

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