SCHEMBL2206505

SCHEMBL2206505

COc1ccc(F)cc1-c1cc(C(=O)O)cc(-n2cnnn2)c1

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.44
ERN1 O75460 1/20 0.44
PTGS2 P35354 4/20 0.44
TP53 P04637 1/20 0.43
ALDH1A1 P00352 2/20 0.41
HPGD P15428 1/20 0.41
RAB9A P51151 2/20 0.41
LMNA P02545 1/20 0.41
MAPK1 P28482 1/20 0.41
HTT P42858 1/20 0.41
STIM1 Q13586 1/20 0.41
ORAI1 Q96D31 1/20 0.41
CTSA P10619 3/20 0.41
NPC1 O15118 1/20 0.41
MEN1 O00255 1/20 0.40
TSHR P16473 1/20 0.40

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
SCHEMBL2204223 0.88 STIM1 (0.53) KMT2APTGS2TP53ALDH1A1HPGD
SCHEMBL2203624 0.88 TP53 (0.48) KMT2APTGS2TP53STIM1ORAI1
SCHEMBL2204199 0.87 KMT2A (0.48) KMT2AERN1PTGS2TP53ALDH1A1
SCHEMBL357809 0.83 TTR (0.44) KMT2ATP53ALDH1A1HPGDRAB9A
SCHEMBL2204992 0.83 STIM1 (0.56) KMT2APTGS2TP53RAB9ASTIM1
SCHEMBL2205182 0.81 RXFP1 (0.50) KMT2AERN1PTGS2TP53ALDH1A1
SCHEMBL2203911 0.81 ALDH1A1 (0.49) KMT2ATP53ALDH1A1HPGDLMNA
SCHEMBL358760 0.81 NOTUM (0.41) KMT2ATP53RAB9ALMNANPC1
SCHEMBL4320066 0.80 P2RY14 (0.47) TP53ALDH1A1RAB9ALMNANPC1
SCHEMBL2204839 0.78 TP53 (0.46) KMT2APTGS2TP53ALDH1A1HPGD

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-2205573-B1 TETRAZOLE-SUBSTITUTED ARYL AMIDE DERIVATIVES AND USES THEREOF HOFFMANN LA ROCHE (CH) 2013-10-23 EP claimed
EP-2205573-A1 TETRAZOLE-SUBSTITUTED ARYL AMIDE DERIVATIVES AND USES THEREOF F. Hoffmann-Roche AG (CH) 2010-07-14 EP claimed
WO-2009043780-A1 TETRAZOLE-SUBSTITUTED ARYL AMIDE DERIVATIVES AND USES THEREOF F. HOFFMANN-LA ROCHE AG (CH) 2009-04-09 WO claimed
EP-2205573-B1 TETRAZOLE-SUBSTITUTED ARYL AMIDE DERIVATIVES AND USES THEREOF HOFFMANN LA ROCHE (CH) 2013-10-23 EP disclosed
US-7981914-B2 Tetrazole-substituted aryl amide derivatives and uses thereof ROCHE PALO ALTO LLC (US) 2011-07-19 US disclosed
US-20090093523-A1 Tetrazole-substituted aryl amide derivatives and uses thereof ROCHE PALO ALTO LLC 2009-04-09 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-20090093523-A1 Tetrazole-substituted aryl amide derivatives and uses thereof AR, NAT1, TBXA2R KMT2A 1756/4885ERN1 2516/4885PTGS2 1288/4885

“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.