SCHEMBL2204787

SCHEMBL2204787

COc1ccccc1-c1cc(C(=O)NCCc2ccc(S(C)(=O)=O)cc2)cc(-n2cnnn2)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 3/20 0.49
RAB9A P51151 3/20 0.49
SMN1; SMN2 Q16637 2/20 0.49
ALDH1A1 P00352 3/20 0.49
USP2 O75604 2/20 0.45
TSHR P16473 1/20 0.45
HTT P42858 1/20 0.44
CA1 P00915 3/20 0.43
CA2 P00918 3/20 0.43
CA9 Q16790 3/20 0.43
CA7 P43166 1/20 0.43
CA14 Q9ULX7 1/20 0.43
CA12 O43570 2/20 0.43
KMT2A Q03164 1/20 0.43
NPC1 O15118 2/20 0.43
LMNA P02545 2/20 0.42
MAPT P10636 2/20 0.42
HPGD P15428 2/20 0.42
TP53 P04637 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42

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
SCHEMBL2203526 0.93 USP2 (0.55) GAARAB9ASMN1; SMN2ALDH1A1USP2
SCHEMBL2202441 0.91 RAB9A (0.60) GAARAB9ASMN1; SMN2ALDH1A1USP2
SCHEMBL2202478 0.90 RAB9A (0.52) GAARAB9ASMN1; SMN2ALDH1A1TSHR
SCHEMBL2203117 0.90 RAB9A (0.52) GAARAB9ASMN1; SMN2ALDH1A1KMT2A
SCHEMBL2202863 0.89 SMN1; SMN2 (0.52) GAARAB9ASMN1; SMN2ALDH1A1USP2
SCHEMBL15327524 0.89 ALDH1A1 (0.48) GAARAB9ASMN1; SMN2ALDH1A1USP2
SCHEMBL2202534 0.88 RAB9A (0.52) GAARAB9ASMN1; SMN2ALDH1A1KMT2A
SCHEMBL2203059 0.88 SMN1; SMN2 (0.50) GAARAB9ASMN1; SMN2ALDH1A1TSHR
SCHEMBL2204626 0.86 WDR5 (0.54) GAARAB9ASMN1; SMN2ALDH1A1TSHR
SCHEMBL2202862 0.86 GAA (0.48) GAARAB9ASMN1; SMN2ALDH1A1TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7981914-B2 Tetrazole-substituted aryl amide derivatives and uses thereof ROCHE PALO ALTO LLC (US) 2011-07-19 US claimed
US-20090093523-A1 Tetrazole-substituted aryl amide derivatives and uses thereof ROCHE PALO ALTO LLC 2009-04-09 US 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-7981914-B2 Tetrazole-substituted aryl amide derivatives and uses thereof ROCHE PALO ALTO LLC (US) 2011-07-19 US 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
US-20090093523-A1 Tetrazole-substituted aryl amide derivatives and uses thereof ROCHE PALO ALTO LLC 2009-04-09 US disclosed
US-20090093523-A1 Tetrazole-substituted aryl amide derivatives and uses thereof ROCHE PALO ALTO LLC 2009-04-09 US disclosed
WO-2009043780-A1 TETRAZOLE-SUBSTITUTED ARYL AMIDE DERIVATIVES AND USES THEREOF F. HOFFMANN-LA ROCHE AG (CH) 2009-04-09 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-20090093523-A1 Tetrazole-substituted aryl amide derivatives and uses thereof AR, NAT1, TBXA2R GAA 1875/4885RAB9A 1317/4885SMN1; SMN2 1615/4885

“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.