SCHEMBL48506

SCHEMBL48506

CC(=O)Cc1cccc(S(C)(=O)=O)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.50
GAA P10253 2/20 0.50
HSD17B10 Q99714 1/20 0.50
GLS O94925 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.44
GRM2 Q14416 2/20 0.44
GRM3 Q14832 2/20 0.44
ADRA1D P25100 1/20 0.43
DRD2 P14416 2/20 0.41
EGFR P00533 2/20 0.40
ERBB2 P04626 2/20 0.40
NQO2 P16083 1/20 0.40
MTNR1A P48039 1/20 0.40
MTNR1B P49286 1/20 0.40
VNN1 O95497 1/20 0.40
GRIA2 P42262 1/20 0.40
NPC1 O15118 1/20 0.39
TNF P01375 1/20 0.39
RAB9A P51151 1/20 0.39
NOD1 Q9Y239 1/20 0.39

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
SCHEMBL12984975 0.86 ALDH1A1 (0.50) ALDH1A1GAAHSD17B10GLSSMN1; SMN2
SCHEMBL335277 0.86 ALDH1A1 (0.54) ALDH1A1GAAHSD17B10GLSSMN1; SMN2
SCHEMBL11153241 0.84 ALDH1A1 (0.41) ALDH1A1GAAHSD17B10GLSEGFR
SCHEMBL7135778 0.84 CA2 (0.53) SMN1; SMN2
SCHEMBL3249872 0.81 CTSG (0.53) ALDH1A1GAAHSD17B10GLSSMN1; SMN2
SCHEMBL19211731 0.81 RAB9A (0.62) ALDH1A1GAASMN1; SMN2NPC1TNF
SCHEMBL28183347 0.81 NQO2 (0.45) ALDH1A1GAASMN1; SMN2EGFRERBB2
SCHEMBL353553 0.81 GLS (0.52) ALDH1A1GAAHSD17B10GLSSMN1; SMN2
SCHEMBL6549202 0.81 ALDH1A1 (0.47) ALDH1A1GAAHSD17B10GLSSMN1; SMN2
SCHEMBL6509671 0.80 ALDH1A1 (0.46) ALDH1A1GRIA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2311818-B1 Combination of a 5-phenylthiazole compound as PI3 kinase inhibitor with an antiinflammatory, bronchodilatory or antihistamine drug NOVARTIS AG (CH) 2013-01-16 EP disclosed
US-8129541-B2 5-phenylthiazole derivatives and use as PI3 kinase inhibitors NOVARTIS AG (CH) 2012-03-06 US disclosed
EP-1480962-B1 5-PHENYLTHIAZOLE DERIVATIVES AND USE AS PI3 KINASE INHIBITORS NOVARTIS AG (CH) 2011-08-24 EP disclosed
EP-2311818-A1 Combination of a 5-phenylthiazole compound as PI3 kinase inhibitor with an antiinflammatory, bronchodilatory or antihistamine drug Novartis AG (CH) 2011-04-20 EP disclosed
US-20100093690-A1 5-PHENYLTHIAZOLE DERIVATIVES AND USE AS PI3 KINASE INHIBITORS BRUCE IAN 2010-04-15 US disclosed
US-7687637-B2 5-phenylthiazole derivatives and use as Pi3 kinase inhibitors NOVARTIS AG (CH) 2010-03-30 US disclosed
US-20050119320-A1 5-phenylthiazole derivatives and use as pi3 kinase inhibitors NOVARTIS AG (CH) 2005-06-02 US disclosed
EP-1480962-A1 5-PHENYLTHIAZOLE DERIVATIVES AND USE AS PI3 KINASE INHIBITORS Novartis AG (CH) 2004-12-01 EP disclosed
WO-2003072557-A1 5-PHENYLTHIAZOLE DERIVATIVES AND USE AS PI3 KINASE INHIBITORS NOVARTIS AG (CH) 2003-09-04 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 (2 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-20100093690-A1 5-PHENYLTHIAZOLE DERIVATIVES AND USE AS PI3 KINASE INHIBITORS PIK3CA, PIK3R5, PIP5K1B ALDH1A1 3271/4885GAA 2233/4885HSD17B10 2953/4885
US-20050119320-A1 5-phenylthiazole derivatives and use as pi3 kinase inhibitors PIK3CA, PIK3R5, PIP5K1B ALDH1A1 3271/4885GAA 2233/4885HSD17B10 2953/4885

“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.