SCHEMBL168327

SCHEMBL168327

CC(=O)c1ccc(C(F)(F)F)cc1C(=O)O

nearest known ligand 0.61

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.61
ALDH1A1 P00352 2/20 0.61
HPGD P15428 2/20 0.61
HSD17B10 Q99714 2/20 0.61
USP2 O75604 1/20 0.61
CYP2C19 P33261 1/20 0.61
SORT1 Q99523 14/20 0.58
CES2 O00748 2/20 0.50
AKR1C3 P42330 1/20 0.49
AKR1C2 P52895 1/20 0.49
RXRA P19793 1/20 0.49
RXRB P28702 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
SCHEMBL21852902 0.90 CES2 (0.55) KDM4EALDH1A1HPGDHSD17B10USP2
SCHEMBL460066 0.88 KDM4E (0.69) KDM4EALDH1A1HPGDHSD17B10USP2
SCHEMBL12897775 0.86 ALDH1A1 (0.46) KDM4EALDH1A1HPGDHSD17B10USP2
SCHEMBL9541475 0.84 ALDH1A1 (0.59) KDM4EALDH1A1HPGDHSD17B10USP2
SCHEMBL17637938 0.82 TDP1 (0.44) KDM4EALDH1A1HPGDHSD17B10USP2
SCHEMBL30184263 0.81 KDM4E (0.66) KDM4EALDH1A1HPGDHSD17B10USP2
SCHEMBL424990 0.81 RXRB (0.70) KDM4EALDH1A1HPGDHSD17B10USP2
SCHEMBL18291815 0.81 ALDH1A1 (0.56) KDM4EALDH1A1HPGDHSD17B10USP2
SCHEMBL30450981 0.81 KDM4E (0.56) KDM4EALDH1A1HPGDHSD17B10USP2
SCHEMBL26732909 0.81 KDM4E (0.56) KDM4EALDH1A1HPGDHSD17B10USP2

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
WO-2021033141-A1 FUSED HETEROCYCLIC COMPOUNDS AND THEIR USE AS PEST CONTROL AGENTS PI INDUSTRIES LTD. (IN) 2021-02-25 WO disclosed
WO-2020163673-A1 INHIBITORS OF ADENYLATE-FORMING ENZYME MENE MEMORIAL SLOAN-KETTERING CANCER CENTER (US) 2020-08-13 WO disclosed
US-8618129-B2 Substituted 1-oxo-dihydroisoquinoline-3-carboxamides as KCNQ2/3 modulators GRUENENTHAL GMBH (DE) 2013-12-31 US disclosed
EP-2611780-A1 SUBSTITUTED 1-OXO-DIHYDROISOQUINOLINE-3-CARBOXAMIDES AS KCNQ2/3 MODULATORS Grünenthal GmbH (DE) 2013-07-10 EP disclosed
WO-2012028300-A1 SUBSTITUTED 1-OXO-DIHYDROISOQUINOLINE-3-CARBOXAMIDES AS KCNQ2/3 MODULATORS Grünenthal GmbH (DE) 2012-03-08 WO disclosed
US-20120053203-A1 Substituted 1-oxo-dihydroisoquinoline-3-carboxamides as KCNQ2/3 modulators GRUNENTHAL GMBH (DE) 2012-03-01 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-20120053203-A1 Substituted 1-oxo-dihydroisoquinoline-3-carboxamides as KCNQ2/3 modulators KCNQ1, KCNQ2, KCNQ3 KDM4E 459/4885ALDH1A1 2009/4885HPGD 1563/4885

“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.