SCHEMBL13582005

SCHEMBL13582005

Cc1cc(C=CC(=O)O)cc(C)c1Oc1ccc(OCc2cscn2)cn1

nearest known ligand 0.36

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CYP4F2 P78329 1/20 0.36
CYP4A11 Q02928 1/20 0.36
ESR1 P03372 7/20 0.35
ALOX5 P09917 1/20 0.35
KDM4E B2RXH2 3/20 0.34
ALDH1A1 P00352 2/20 0.34
PKM P14618 1/20 0.34
CA2 P00918 2/20 0.34
CA5A P35218 2/20 0.34
CA9 Q16790 2/20 0.34
P4HTM Q9NXG6 1/20 0.34
PPARD Q03181 2/20 0.34
PPARA Q07869 2/20 0.34
POLB P06746 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.33
PPARG P37231 1/20 0.33

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
SCHEMBL13582003 1.00 CYP4F2 (0.36) CYP4F2CYP4A11ESR1ALOX5KDM4E
SCHEMBL2298327 0.90 CA12 (0.38) ESR1CA2CA9
SCHEMBL2298336 0.84 ESR1 (0.36) ESR1ALOX5KDM4EPPARG
SCHEMBL13581834 0.83 RAB9A (0.43) CYP4F2CYP4A11ESR1KDM4EALDH1A1
SCHEMBL13581832 0.83 RAB9A (0.43) CYP4F2CYP4A11ESR1KDM4EALDH1A1
SCHEMBL13582109 0.83 CYP4F2 (0.40) CYP4F2CYP4A11ESR1KDM4EALDH1A1
SCHEMBL13582112 0.83 CYP4F2 (0.40) CYP4F2CYP4A11ESR1KDM4EALDH1A1
SCHEMBL2298330 0.82 MAPK14 (0.34) ALOX5PKMPPARG
SCHEMBL13581729 0.82 AKR1C3 (0.45) CYP4F2CYP4A11KDM4EALDH1A1PKM
SCHEMBL13581731 0.82 AKR1C3 (0.45) CYP4F2CYP4A11KDM4EALDH1A1PKM

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
EP-2528897-B9 DI-SUBSTITUTED PYRIDINE DERIVATIVES AS ANTICANCERS OTSUKA PHARMA CO LTD (JP) 2015-04-22 EP disclosed
EP-2528897-B1 DI-SUBSTITUTED PYRIDINE DERIVATIVES AS ANTICANCERS OTSUKA PHARMA CO LTD (JP) 2014-10-15 EP disclosed
US-8722663-B2 Di-substituted pyridine derivatives as anticancers OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2014-05-13 US disclosed
EP-2528897-A1 DI - SUBSTITUTED PYRIDINE DERIVATIVES AS ANTICANCERS Otsuka Pharmaceutical Co., Ltd. (JP) 2012-12-05 EP disclosed
US-20120283242-A1 DI - SUBSTITUTED PYRIDINE DERIVATIVES AS ANTICANCERS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2012-11-08 US disclosed
WO-2011093524-A9 DI - SUBSTITUTED PYRIDINE DERIVATIVES AS ANTICANCERS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2011-12-01 WO 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-20120283242-A1 DI - SUBSTITUTED PYRIDINE DERIVATIVES AS ANTICANCERS TPD52L2, CCNE2, CDK2 CYP4F2 168/4885CYP4A11 1369/4885ESR1 666/4885

“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.