SCHEMBL6538872

SCHEMBL6538872

COC(=O)c1ccc(C[C]=O)cc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LOXL2 Q9Y4K0 1/20 0.61
CYP4A11 Q02928 2/20 0.56
CYP4F2 P78329 1/20 0.54
CA1 P00915 4/20 0.53
CA2 P00918 4/20 0.53
CA12 O43570 2/20 0.53
CA9 Q16790 2/20 0.53
CA14 Q9ULX7 2/20 0.53
TDP1 Q9NUW8 1/20 0.53
CA7 P43166 1/20 0.53
MAPT P10636 2/20 0.53
ALDH1A1 P00352 2/20 0.53
TSHR P16473 2/20 0.50
MEN1 O00255 1/20 0.50
KMT2A Q03164 1/20 0.50
AR P10275 1/20 0.49
KDM4E B2RXH2 1/20 0.49
NPC1 O15118 1/20 0.49
GAA P10253 1/20 0.49
HPGD P15428 1/20 0.49

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
SCHEMBL69454 0.84 LOXL2 (0.70) LOXL2CYP4A11CYP4F2CA1CA2
SCHEMBL6877770 0.83 LOXL2 (0.59) LOXL2CYP4A11CYP4F2CA1CA2
SCHEMBL378575 0.83 LOXL2 (0.59) LOXL2CYP4A11CYP4F2CA1CA2
SCHEMBL29003606 0.81 LOXL2 (0.58) LOXL2CYP4A11CYP4F2CA1CA2
SCHEMBL9781942 0.81 CA1 (0.59) CA1CA2CA12CA9CA14
SCHEMBL3816589 0.80 LOXL2 (0.56) LOXL2CYP4A11CYP4F2CA1CA2
SCHEMBL131711 0.79 LOXL2 (0.70) LOXL2CYP4A11CYP4F2CA1CA2
SCHEMBL70185 0.79 CYP4A11 (0.75) LOXL2CYP4A11CYP4F2CA1CA2
SCHEMBL7276383 0.79 LOXL2 (0.66) LOXL2CYP4A11CYP4F2MAPTALDH1A1
SCHEMBL23600 0.78 CA1 (0.80) LOXL2CYP4A11CA1CA2CA12

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6812235-B2 2-ACYLAMINO- BETA -ALANINE DERIVATIVES AND A PHARMACEUTICALLY ACCEPTABLE SALT, USEFUL AS FIBRINOGEN RECEPTOR ANTAGONISTS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2004-11-02 US disclosed
US-20030018193-A1 Beta-alanine derivatives and their use as receptor anatgonists ASTELLAS PHARMA INC. (JP) 2003-01-23 US disclosed
EP-1255748-A1 BETA-ALANINE DERIVATIVES AND THEIR USE AS RECEPTOR ANTAGONISTS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2002-11-13 EP disclosed
WO-2001060813-A1 BETA-ALANINE DERIVATIVES AND THEIR USE AS RECEPTOR ANTAGONISTS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2001-08-23 WO disclosed
WO-1998018764-A1 DIHYDROBENZOANTHRACENONE, -PYRIMIDINONE OR DIHYDRONAPHTOQUINOLINONE MERCK PATENT GMBH (DE) 1998-05-07 WO disclosed
WO-1997044333-A1 1,2,4-OXADIAZOLES AS ADHESION-RECEPTOR ANTAGONISTS MERCK PATENT GMBH (DE) 1997-11-27 WO disclosed
EP-0509769-B1 Heterocyclic amides having HLE inhibiting activity ZENECA LTD (GB) 1996-09-11 EP disclosed
US-5521179-A Heterocyclic amides ZENECA LIMITED (GB) 1996-05-28 US disclosed
EP-0509769-A2 Heterocyclic amides having HLE inhibiting activity ZENECA LIMITED (GB) 1992-10-21 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-20030018193-A1 Beta-alanine derivatives and their use as receptor anatgonists ARRB1, ADRB1, GLRB LOXL2 535/4885CYP4A11 882/4885CYP4F2 773/4885

“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.