SCHEMBL966489

SCHEMBL966489

CC(O)c1cccc(NC(=O)C(C)(C)C)n1

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.44
ADORA1 P30542 2/20 0.43
CYP1A2 P05177 1/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.42
HSD11B1 P28845 3/20 0.41
POLB P06746 1/20 0.41
XIAP P98170 1/20 0.41
BIRC2 Q13490 1/20 0.41
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
RAB9A P51151 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
ALDH1A1 P00352 1/20 0.38
KDM4E B2RXH2 1/20 0.38

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
SCHEMBL5474017 0.89 SMN1; SMN2 (0.45) SMN1; SMN2ADORA1CYP1A2CYP3A4CYP2C9
SCHEMBL964808 0.86 SMN1; SMN2 (0.43) SMN1; SMN2ADORA1CYP1A2CYP3A4CYP2C9
SCHEMBL6484229 0.84 ADORA1 (0.43) SMN1; SMN2ADORA1CYP1A2CYP3A4CYP2C9
SCHEMBL921576 0.83 L3MBTL1 (0.54) SMN1; SMN2ADORA1CYP1A2CYP3A4CYP2C9
SCHEMBL13489802 0.77 ADORA1 (0.48) SMN1; SMN2ADORA1CYP1A2CYP3A4CYP2C9
SCHEMBL126159 0.77 RAB9A (0.68) SMN1; SMN2POLBMEN1KMT2ARAB9A
SCHEMBL30485981 0.77 RAB9A (0.68) SMN1; SMN2POLBMEN1KMT2ARAB9A
SCHEMBL19718960 0.77 ADORA1 (0.48) SMN1; SMN2ADORA1CYP1A2CYP3A4CYP2C9
SCHEMBL13635255 0.76 SMN1; SMN2 (0.42) SMN1; SMN2HSD11B1XIAPBIRC2MEN1
SCHEMBL3883249 0.76 FFAR2 (0.48) ADORA1CYP1A2CYP3A4CYP2C9CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8557849-B2 Fungicide hydroximoyl-tetrazole derivatives BAYER CROPSCIENCE AG (DE) 2013-10-15 US disclosed
EP-2257168-B1 FUNGICIDE HYDROXIMOYL-TETRAZOLE DERIVATIVES BAYER IP GMBH (DE) 2013-06-05 EP disclosed
US-20110015236-A1 FUNGICIDE HYDROXIMOYL-TETRAZOLE DERIVATIVES BAYER CROPSCIENCE AG (DE) 2011-01-20 US disclosed
EP-2257168-A1 FUNGICIDE HYDROXIMOYL-TETRAZOLE DERIVATIVES Bayer CropScience AG (DE) 2010-12-08 EP disclosed
EP-1893609-B1 N-(PYRIDIN-2-YL)-SULFONAMIDE DERIVATIVES PFIZER (US) 2009-11-18 EP disclosed
WO-2009115556-A1 FUNGICIDE HYDROXIMOYL-TETRAZOLE DERIVATIVES BAYER CROPSCIENCE SA (FR) 2009-09-24 WO disclosed
US-7462634-B2 N-(pyridin-2-yl)-sulfonamide derivatives AGOURON PHARMACEUTICALS, INC. (US) 2008-12-09 US disclosed
US-7462634-B2 N-(pyridin-2-yl)-sulfonamide derivatives AGOURON PHARMACEUTICALS, INC. (US) 2008-12-09 US disclosed
US-7462634-B2 N-(pyridin-2-yl)-sulfonamide derivatives AGOURON PHARMACEUTICALS, INC. (US) 2008-12-09 US disclosed
EP-1893609-A1 N-(PYRIDIN-2-YL)-SULFONAMIDE DERIVATIVES Pfizer, Inc. (US) 2008-03-05 EP disclosed
US-20070072914-A1 N-(pyridin-2-yl)-sulfonamide derivatives AGOURON PHARMACEUTICALS, INC. 2007-03-29 US disclosed
US-20070072914-A1 N-(pyridin-2-yl)-sulfonamide derivatives AGOURON PHARMACEUTICALS, INC. 2007-03-29 US disclosed
US-20070072914-A1 N-(pyridin-2-yl)-sulfonamide derivatives AGOURON PHARMACEUTICALS, INC. 2007-03-29 US disclosed
US-20070027118-A1 Novel compounds of amino sulfonyl derivatives AGOURON PHARMACEUTICALS, INC 2007-02-01 US disclosed
WO-2006134467-A1 N-(PYRIDIN-2-YL)-SULFONAMIDE DERIVATIVES PFIZER INC. (US) 2006-12-21 WO disclosed
WO-2006106423-A2 AMINO SULFONYL DERIVATIVES AS INHIBITORS OF HUMAN 11-.BETA.-HYDROSYSTEROID DEHYDROGENASE PFIZER INC. (US) 2006-10-12 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 (3 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-20110015236-A1 FUNGICIDE HYDROXIMOYL-TETRAZOLE DERIVATIVES CYP51A1, HAAO, HPD SMN1; SMN2 4458/4885ADORA1 4680/4885CYP1A2 33/4885
US-20070027118-A1 Novel compounds of amino sulfonyl derivatives HSD11B1, HSD11B2, HSD17B11 SMN1; SMN2 2782/4885ADORA1 900/4885CYP1A2 278/4885
US-20070072914-A1 N-(pyridin-2-yl)-sulfonamide derivatives HSD11B1, HSD3B1, HSD11B2 SMN1; SMN2 2518/4885ADORA1 1036/4885CYP1A2 62/4885

“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.