SCHEMBL286109

SCHEMBL286109

Cc1onc(-c2ccc(F)cc2)c1/C=C/c1cc(C(=O)O)[nH]n1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALPL P05186 4/20 0.48
CA12 O43570 2/20 0.48
RPA1 P27694 1/20 0.48
KDM4E B2RXH2 2/20 0.45
POLB P06746 1/20 0.41
CASP6 P55212 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
PTGS2 P35354 2/20 0.40
GABRA5 P31644 1/20 0.40
GAA P10253 2/20 0.40
TSHR P16473 1/20 0.40
CA9 Q16790 1/20 0.38
GPBAR1 Q8TDU6 1/20 0.38
KMT2A Q03164 3/20 0.37
ATM Q13315 1/20 0.37
MEN1 O00255 2/20 0.36
MAPK1 P28482 1/20 0.36
MAP2K4 P45985 1/20 0.36
MAPK6 Q16659 1/20 0.36
HAO2 Q9NYQ3 1/20 0.36

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
SCHEMBL286110 1.00 ALPL (0.48) ALPLCA12RPA1KDM4EPOLB
SCHEMBL285881 0.91 KDM4E (0.43) ALPLCA12RPA1KDM4EPOLB
SCHEMBL285882 0.91 KDM4E (0.43) ALPLCA12RPA1KDM4EPOLB
SCHEMBL285571 0.90 KMT2A (0.47) ALPLKDM4EPOLBCASP6L3MBTL1
SCHEMBL286461 0.90 KMT2A (0.47) ALPLKDM4EPOLBCASP6L3MBTL1
SCHEMBL285570 0.90 KMT2A (0.47) ALPLKDM4EPOLBCASP6L3MBTL1
SCHEMBL286206 0.88 LMNA (0.46) ALPLKDM4EPOLBCASP6L3MBTL1
SCHEMBL286207 0.88 LMNA (0.46) ALPLKDM4EPOLBCASP6L3MBTL1
SCHEMBL286279 0.86 KDM4E (0.45) KDM4EPTGS2GABRA5GAATSHR
SCHEMBL286278 0.86 KDM4E (0.45) KDM4EPTGS2GABRA5GAATSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100286115-A1 PYRAZOLES ROCHE PALO ALTO LLC 2010-11-11 US claimed
US-8163728-B2 Pyrazoles HOFFMANN-LA ROCHE INC. (US) 2012-04-24 US disclosed
EP-2427455-A1 ISOXAZOLE-PYRAZOLE DERIVATIVES F. Hoffmann-La Roche AG (CH) 2012-03-14 EP disclosed
WO-2010127975-A1 ISOXAZOLE-PYRAZOLE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2010-11-11 WO disclosed
US-20100286115-A1 PYRAZOLES ROCHE PALO ALTO LLC 2010-11-11 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-20100286115-A1 PYRAZOLES GABRA5, GABRA1, GABRA3 ALPL 1277/4885CA12 4587/4885RPA1 4018/4885

“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.