SCHEMBL9951697

SCHEMBL9951697

C#Cc1nn(C2CCCCO2)c2ccc(C(=O)O)cc12

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HCAR3 P49019 4/20 0.41
RXRA P19793 1/20 0.40
RXRB P28702 1/20 0.40
RXRG P48443 1/20 0.40
HSD17B10 Q99714 2/20 0.39
GAA P10253 1/20 0.39
TEAD1 P28347 1/20 0.38
TEAD4 Q15561 1/20 0.38
TEAD2 Q15562 1/20 0.38
DGAT2 Q96PD7 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
CD274 Q9NZQ7 1/20 0.36
CNR1 P21554 1/20 0.36
CNR2 P34972 1/20 0.36
KDM4E B2RXH2 1/20 0.35
ALDH1A1 P00352 1/20 0.35
HPGD P15428 1/20 0.35
TSHR P16473 1/20 0.35
ATR Q13535 1/20 0.35
IP6K1 Q92551 1/20 0.34

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
SCHEMBL9951722 0.88 DGAT2 (0.40) RXRARXRBRXRGDGAT2CD274
SCHEMBL9952378 0.83 RXRA (0.41) RXRARXRBRXRGDGAT2CD274
SCHEMBL9904464 0.82 HCAR3 (0.43) HCAR3RXRARXRBRXRGHSD17B10
SCHEMBL17801039 0.82 HCAR3 (0.43) HCAR3RXRARXRBRXRGHSD17B10
SCHEMBL30040921 0.82 L3MBTL1 (0.44) HCAR3RXRARXRBRXRGHSD17B10
SCHEMBL29444527 0.82 HCAR3 (0.43) HCAR3RXRARXRBRXRGHSD17B10
SCHEMBL10324481 0.82 L3MBTL1 (0.44) HCAR3RXRARXRBRXRGHSD17B10
SCHEMBL23535805 0.81 CNR1 (0.45) HCAR3RXRARXRBRXRGHSD17B10
Lithium SCHEMBL30864302 0.81 L3MBTL1 (0.43) HCAR3RXRARXRBRXRGHSD17B10
SCHEMBL30040880 0.81 CNR1 (0.45) HCAR3RXRARXRBRXRGHSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2655357-B1 INDAZOLYL TRIAZOLE DERIVATIVES AS IRAK INHIBITORS MERCK SERONO SA (CH) 2016-06-22 EP disclosed
EP-2655357-B1 INDAZOLYL TRIAZOLE DERIVATIVES AS IRAK INHIBITORS MERCK SERONO SA (CH) 2016-06-22 EP disclosed
US-9073892-B2 Indazolyl triazol derivatives MERCK SERONO S.A. (CH) 2015-07-07 US disclosed
US-9073892-B2 Indazolyl triazol derivatives MERCK SERONO S.A. (CH) 2015-07-07 US disclosed
US-9073892-B2 Indazolyl triazol derivatives MERCK SERONO S.A. (CH) 2015-07-07 US disclosed
EP-2655357-A1 INDAZOLYL TRIAZOLE DERIVATIVES AS IRAK INHIBITORS Merck Serono S.A. (CH) 2013-10-30 EP disclosed
US-20130274241-A1 INDAZOLYL TRIAZOL DERIVATIVES MERCK SERONO S.A. - INTELLECTUAL PROPERTY (CH) 2013-10-17 US disclosed
US-20130274241-A1 INDAZOLYL TRIAZOL DERIVATIVES MERCK SERONO S.A. - INTELLECTUAL PROPERTY (CH) 2013-10-17 US disclosed
US-20130274241-A1 INDAZOLYL TRIAZOL DERIVATIVES MERCK SERONO S.A. - INTELLECTUAL PROPERTY (CH) 2013-10-17 US disclosed
WO-2012084704-A1 INDAZOLYL TRIAZOLE DERIVATIVES AS IRAK INHIBITORS MERCK SERONO S.A. (CH) 2012-06-28 WO disclosed
WO-2012084704-A1 INDAZOLYL TRIAZOLE DERIVATIVES AS IRAK INHIBITORS MERCK SERONO S.A. (CH) 2012-06-28 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-20130274241-A1 INDAZOLYL TRIAZOL DERIVATIVES NFATC1, IL5, CD4 HCAR3 1878/4885RXRA 714/4885RXRB 453/4885

“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.