SCHEMBL6633334

SCHEMBL6633334

CS(=O)(=O)c1ccccc1C(=O)c1sc(Nc2ccc(C(=O)O)cc2)nc1N

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCNA2 P20248 13/20 0.59
CDK2 P24941 13/20 0.59
CDK5 Q00535 6/20 0.58
CDK5R1 Q15078 6/20 0.58
MAPT P10636 4/20 0.58
NPC1 O15118 3/20 0.58
RAB9A P51151 2/20 0.58
GSK3B P49841 2/20 0.58
GSK3A P49840 1/20 0.58
MAPK14 Q16539 1/20 0.58
TDP1 Q9NUW8 1/20 0.58
MEN1 O00255 3/20 0.56
KMT2A Q03164 3/20 0.56
LMNA P02545 2/20 0.56
TP53 P04637 2/20 0.56
HPGD P15428 1/20 0.56
SMN1; SMN2 Q16637 1/20 0.56
CCNK O75909 1/20 0.54
CDK1 P06493 1/20 0.54
CDK4 P11802 1/20 0.54

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
SCHEMBL6635588 0.86 CCNA2 (0.57) CCNA2CDK2CDK5CDK5R1MAPT
SCHEMBL6633742 0.83 CDK5 (0.76) CCNA2CDK2CDK5CDK5R1MAPT
SCHEMBL4473692 0.82 CCNA2 (0.85) CCNA2CDK2CDK5CDK5R1MAPT
SCHEMBL6632995 0.81 CCNA2 (0.59) CCNA2CDK2CDK5CDK5R1MAPT
SCHEMBL4402906 0.79 CCNA2 (0.75) CCNA2CDK2CDK5CDK5R1MAPT
SCHEMBL5725679 0.79 CCNA2 (0.76) CCNA2CDK2CDK5CDK5R1MAPT
SCHEMBL5725190 0.77 CCNA2 (0.91) CCNA2CDK2CDK5CDK5R1MAPT
SCHEMBL6633549 0.76 CCNA2 (0.69) CCNA2CDK2CDK5CDK5R1MAPT
SCHEMBL4489624 0.76 MEN1 (0.91) CCNA2CDK2CDK5CDK5R1MAPT
SCHEMBL20142350 0.76 MEN1 (0.91) CCNA2CDK2CDK5CDK5R1MAPT

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
EP-1438046-A4 THIAZOLE BENZAMIDE DERIVATIVES AND PHARMACEUTICAL COMPOSITIONS FOR INHIBITING CELL PROLIFERATION, AND METHODS FOR THEIR USE AGOURON PHARMA (US) 2004-10-20 EP disclosed
EP-1438046-A2 THIAZOLE BENZAMIDE DERIVATIVES AND PHARMACEUTICAL COMPOSITIONS FOR INHIBITING CELL PROLIFERATION, AND METHODS FOR THEIR USE AGOURON PHARMACEUTICALS, INC. (US) 2004-07-21 EP disclosed
US-6720346-B2 (4-AMINOTHIAZOL-2-YLAMINO)-BENZAMIDE COMPOUNDS; PROTEIN KINASE INHIBITORS; CANCER; AUTOIMMUNE, VIRAL, FUNGAL, NEURODEGENERATIVE, AND CARDIOVASCULAR DISORDERS AGOURON PHARMACEUTICALS, INC. 2004-04-13 US disclosed
US-20030225147-A1 Thiazole benzamide derivatives and pharmaceutical compositions for inhibiting cell proliferation, and methods for their use AGOURON PHARMACEUTICALS INC. 2003-12-04 US disclosed
WO-2003004467-A2 THIAZOLE BENZAMIDE DERIVATIVES AND PHARMACEUTICAL COMPOSITIONS FOR INHIBITING CELL PROLIFERATION, AND METHODS FOR THEIR USE AGOURON PHARMACEUTICALS, INC. (US) 2003-01-16 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 (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-20030225147-A1 Thiazole benzamide derivatives and pharmaceutical compositions for inhibiting cell proliferation, and methods for their use TK1, MKI67, CDKN1A CCNA2 81/4885CDK2 4/4885CDK5 46/4885

“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.