SCHEMBL16527696

SCHEMBL16527696

COC(=O)C[C@H]1CC[C@H](c2ccc(NC(=O)CCNC(=O)c3ccc(Cl)cc3)cc2)CC1

nearest known ligand 0.54

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ IDO1 P14902 1/20 0.54
▸ POLB P06746 2/20 0.50
▸ ALDH1A1 P00352 1/20 0.50
▸ RHOC P08134 2/20 0.49
▸ RHOA P61586 2/20 0.49
▸ RAB9A P51151 1/20 0.46
▸ MAPT P10636 1/20 0.46

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
SCHEMBL16527695 1.00 IDO1 (0.54) IDO1POLBALDH1A1RHOCRHOA
SCHEMBL16542660 0.89 IDO1 (0.60) IDO1POLBALDH1A1RHOCRHOA
SCHEMBL16527560 0.89 IDO1 (0.60) IDO1POLBALDH1A1RHOCRHOA
SCHEMBL16527662 0.89 POLB (0.48) IDO1POLBALDH1A1MAPT
SCHEMBL16527663 0.89 POLB (0.48) IDO1POLBALDH1A1MAPT
SCHEMBL16527729 0.88 HTT (0.51) POLBALDH1A1RAB9AMAPT
SCHEMBL16527728 0.88 HTT (0.51) POLBALDH1A1RAB9AMAPT
SCHEMBL16527488 0.84 L3MBTL1 (0.47) POLBALDH1A1RAB9AMAPT
SCHEMBL16542682 0.84 L3MBTL1 (0.47) POLBALDH1A1RAB9AMAPT
SCHEMBL16527741 0.83 DGAT1 (0.53) IDO1

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
US-9321728-B2 Beta-alanine derivatives, pharmaceutically acceptable salts thereof, and pharmaceutical composition comprising same as active ingredient KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) 2016-04-26 — — US claimed
US-20150329504-A1 NOVEL BETA-ALANINE DERIVATIVES, PHARMACEUTICALLY ACCEPTABLE SALTS THEREOF, AND PHARMACEUTICAL COMPOSITION COMPRISING SAME AS ACTIVE INGREDIENT KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) 2015-11-19 — — US claimed
EP-2842938-A1 NOVEL BETA-ALANINE DERIVATIVES, PHARMACEUTICALLY ACCEPTABLE SALTS THEREOF, AND PHARMACEUTICAL COMPOSITION COMPRISING SAME AS ACTIVE INGREDIENT Korea Research Institute of Chemical Technology (KR) 2015-03-04 — — EP claimed
US-9321728-B2 Beta-alanine derivatives, pharmaceutically acceptable salts thereof, and pharmaceutical composition comprising same as active ingredient KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) 2016-04-26 — — US disclosed
US-20150329504-A1 NOVEL BETA-ALANINE DERIVATIVES, PHARMACEUTICALLY ACCEPTABLE SALTS THEREOF, AND PHARMACEUTICAL COMPOSITION COMPRISING SAME AS ACTIVE INGREDIENT KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) 2015-11-19 — — US disclosed
EP-2842938-A1 NOVEL BETA-ALANINE DERIVATIVES, PHARMACEUTICALLY ACCEPTABLE SALTS THEREOF, AND PHARMACEUTICAL COMPOSITION COMPRISING SAME AS ACTIVE INGREDIENT Korea Research Institute of Chemical Technology (KR) 2015-03-04 — — 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-20150329504-A1 NOVEL BETA-ALANINE DERIVATIVES, PHARMACEUTICALLY ACCEPTABLE SALTS THEREOF, AND PHARMACEUTICAL COMPOSITION COMPRISING SAME AS ACTIVE INGREDIENT DGAT1, GOT1, ACAT2 IDO1 1446/4885POLB 2758/4885ALDH1A1 391/4885

“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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