SCHEMBL2396526

SCHEMBL2396526

CC(=O)Cc1ccc(N)c(Cl)c1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 4/20 0.57
CA2 P00918 4/20 0.44
ALDH1A1 P00352 6/20 0.43
TSHR P16473 5/20 0.43
HPGD P15428 2/20 0.43
ALOX15 P16050 2/20 0.43
HSD17B10 Q99714 2/20 0.43
THRB P10828 1/20 0.43
CASP1 P29466 1/20 0.43
RECQL P46063 1/20 0.43
MAPK1 P28482 1/20 0.41
CA1 P00915 3/20 0.41
GAA P10253 2/20 0.40
GFER P55789 1/20 0.40
POLB P06746 2/20 0.40
ESR2 Q92731 1/20 0.39
CA12 O43570 1/20 0.39
CA4 P22748 1/20 0.39
CA6 P23280 1/20 0.39
CA5A P35218 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
SCHEMBL3641062 0.85 CA2 (0.44) CYP3A4CA2ALDH1A1TSHRHPGD
SCHEMBL2597844 0.83 CA2 (0.65) CYP3A4CA2ALDH1A1TSHRHPGD
SCHEMBL15067645 0.82 GAA (0.47) CYP3A4CA2ALDH1A1TSHRHPGD
SCHEMBL1136782 0.82 TSHR (0.53) CA2TSHRPIK3CAKMT2A
Hydrochloric Acid SCHEMBL11851846 0.81 CA2 (0.62) CYP3A4CA2ALDH1A1TSHRHPGD
SCHEMBL11836830 0.81 CYP3A4 (0.57) CYP3A4CA2ALDH1A1TSHRHPGD
SCHEMBL19180323 0.81 CYP3A4 (0.52) CYP3A4CA2
SCHEMBL2434505 0.81 ALDH1A1 (0.64) CYP3A4CA2ALDH1A1TSHRHPGD
Hydrochloric Acid SCHEMBL6560031 0.80 ALDH1A1 (0.62) CYP3A4CA2ALDH1A1TSHRHPGD
SCHEMBL7148985 0.79 CA2 (0.70) CYP3A4CA2TSHRHPGDHSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8026270-B2 Benzo [F] isoindoles as EP4 receptor agonists GLAXO GROUP LIMITED (GB) 2011-09-27 US disclosed
US-8017608-B2 5-Phenylthiazole derivatives and their use as p13 kinase inhibitors NOVARTIS AG (CH) 2011-09-13 US disclosed
US-20090312388-A1 Benzo [F] Isoindoles As EP4 Receptor Agonists GLAXO GROUP LIMITED 2009-12-17 US disclosed
EP-1608647-B1 5-PHENYLTHIAZOLE DERIVATIVES AND THEIR USE AS P13 KINASE INHIBITORS NOVARTIS AG (CH) 2008-01-09 EP disclosed
US-20060148822-A1 5-Phenylthiazole derivatives and their use as p13 kinase inhibitors NOVARTIS AG (CH) 2006-07-06 US disclosed
EP-1608647-A1 5-PHENYLTHIAZOLE DERIVATIVES AND THEIR USE AS P13 KINASE INHIBITORS Novartis AG (CH) 2005-12-28 EP disclosed
WO-2004078754-A1 5-PHENYLTHIAZOLE DERIVATIVES AND THEIR USE AS P13 KINASE INHIBITORS NOVARTIS AG (CH) 2004-09-16 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-20090312388-A1 Benzo [F] Isoindoles As EP4 Receptor Agonists PTGER4, GPR4, PTGER1 CYP3A4 70/4885CA2 3710/4885ALDH1A1 1617/4885
US-20060148822-A1 5-Phenylthiazole derivatives and their use as p13 kinase inhibitors MAP3K13, AKT3, MAP3K3 CYP3A4 1910/4885CA2 2321/4885ALDH1A1 4017/4885

“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.