SCHEMBL48672

SCHEMBL48672

Cc1nc(NC(=O)NCC(=O)O)sc1-c1ccc(S(=O)(=O)N(C)C)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 8/20 0.53
PIK3CA P42336 7/20 0.53
PIK3CG P48736 7/20 0.53
PIK3CB P42338 6/20 0.53
SMN1; SMN2 Q16637 2/20 0.47
NPSR1 Q6W5P4 2/20 0.47
ALDH1A1 P00352 1/20 0.47
RXFP1 Q9HBX9 1/20 0.47
PI4KB Q9UBF8 3/20 0.46
LMNA P02545 1/20 0.44
XIAP P98170 1/20 0.42
MAPT P10636 1/20 0.42
CYP1A2 P05177 1/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2C9 P11712 1/20 0.42
HPGD P15428 1/20 0.42
MAPK1 P28482 1/20 0.42
CYP2C19 P33261 1/20 0.42
HSD17B10 Q99714 1/20 0.42
KDM4E B2RXH2 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
SCHEMBL48699 0.90 PIK3CD (0.54) PIK3CDPIK3CAPIK3CGPIK3CBSMN1; SMN2
SCHEMBL48850 0.88 PIK3CD (0.69) PIK3CDPIK3CAPIK3CGPIK3CBPI4KB
SCHEMBL48464 0.88 ALDH1A1 (0.53) PIK3CDPIK3CAPIK3CGPIK3CBSMN1; SMN2
SCHEMBL48569 0.83 PIK3CG (0.75) PIK3CDPIK3CAPIK3CGPIK3CBSMN1; SMN2
SCHEMBL48676 0.82 PIK3CD (0.53) PIK3CDPIK3CAPIK3CGPIK3CBSMN1; SMN2
SCHEMBL49803 0.77 PIK3CD (0.66) PIK3CDPIK3CAPIK3CGPIK3CBPI4KB
SCHEMBL48623 0.77 PIK3CD (0.72) PIK3CDPIK3CAPIK3CGPIK3CBSMN1; SMN2
SCHEMBL48491 0.76 PIK3CD (0.64) PIK3CDPIK3CAPIK3CGPIK3CBNPSR1
SCHEMBL1784035 0.75 PIK3CD (0.63) PIK3CDPIK3CAPIK3CGPIK3CBPI4KB
SCHEMBL1784577 0.75 PIK3CD (0.69) PIK3CDPIK3CAPIK3CGPIK3CBPI4KB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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

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 PIK3CD 4/4885PIK3CA 1/4885PIK3CG 8/4885
US-20050119320-A1 5-phenylthiazole derivatives and use as pi3 kinase inhibitors PIK3CA, PIK3R5, PIP5K1B PIK3CD 4/4885PIK3CA 1/4885PIK3CG 8/4885

“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.