SCHEMBL4097682

SCHEMBL4097682

Cc1ccc(S(=O)(=O)C(NC(=O)C(C)C)c2ccc(F)cc2)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.46
CA12 O43570 1/20 0.44
CA1 P00915 1/20 0.44
CA2 P00918 1/20 0.44
CA9 Q16790 1/20 0.44
ALDH1A1 P00352 4/20 0.43
KMT2A Q03164 7/20 0.43
GAA P10253 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
MEN1 O00255 5/20 0.42
EGFR P00533 1/20 0.42
ERBB2 P04626 1/20 0.42
STAT1 P42224 1/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
LMNA P02545 1/20 0.41
PAX8 Q06710 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
MAPT P10636 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
SCHEMBL2763497 0.87 TP53 (0.49) TP53CA12CA1CA2CA9
SCHEMBL1639850 0.86 TP53 (0.51) TP53CA12CA1CA2CA9
SCHEMBL19732939 0.85 TP53 (0.47) TP53CA12CA1CA2CA9
SCHEMBL4108591 0.83 TP53 (0.45) TP53CA12CA1CA2CA9
SCHEMBL17291388 0.83 ALDH1A1 (0.48) TP53ALDH1A1KMT2AGAAL3MBTL1
SCHEMBL17291277 0.81 TP53 (0.47) TP53ALDH1A1KMT2AGAAL3MBTL1
SCHEMBL4103623 0.81 ALDH1A1 (0.50) TP53ALDH1A1KMT2AGAAL3MBTL1
SCHEMBL13848289 0.80 TP53 (0.46) TP53ALDH1A1KMT2AGAAL3MBTL1
SCHEMBL17291408 0.78 PKM (0.50) TP53CA12CA1CA2CA9
SCHEMBL19732946 0.77 LMNA (0.51) CA12CA1CA2CA9ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2935271-B1 NOVEL SUBSTITUTED IMIDAZOLES AS CASEIN KINASE 1 / INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2017-10-25 EP disclosed
EP-2935271-B1 NOVEL SUBSTITUTED IMIDAZOLES AS CASEIN KINASE 1 / INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2017-10-25 EP disclosed
US-9556179-B2 Substituted imidazoles as casein kinase 1 D/E inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2017-01-31 US disclosed
US-9556179-B2 Substituted imidazoles as casein kinase 1 D/E inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2017-01-31 US disclosed
US-9556179-B2 Substituted imidazoles as casein kinase 1 D/E inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2017-01-31 US disclosed
US-20150344481-A1 NOVEL SUBSTITUTED IMIDAZOLES AS CASEIN KINASE 1 D/E INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2015-12-03 US disclosed
US-20150344481-A1 NOVEL SUBSTITUTED IMIDAZOLES AS CASEIN KINASE 1 D/E INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2015-12-03 US disclosed
US-20150344481-A1 NOVEL SUBSTITUTED IMIDAZOLES AS CASEIN KINASE 1 D/E INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2015-12-03 US disclosed
US-20090227602-A1 COMPOSITIONS AND TREATMENTS FOR INHIBITING KINASE AND/OR HMG-COA REDUCTASE NUMERATE, INC. 2009-09-10 US disclosed
US-20090227602-A1 COMPOSITIONS AND TREATMENTS FOR INHIBITING KINASE AND/OR HMG-COA REDUCTASE NUMERATE, INC. 2009-09-10 US disclosed
US-20090227602-A1 COMPOSITIONS AND TREATMENTS FOR INHIBITING KINASE AND/OR HMG-COA REDUCTASE NUMERATE, INC. 2009-09-10 US disclosed
EP-1948168-A2 COMPOSITIONS AND TREATMENTS FOR INHIBITING KINASE AND/OR HMG-COA REDUCTASE Numerate, Inc (US) 2008-07-30 EP disclosed
WO-2007051065-A2 COMPOSITIONS AND TREATMENTS FOR INHIBITING KINASE AND/OR HMG-COA REDUCTASE NUMERATE, INC. (US) 2007-05-03 WO disclosed
WO-2007051065-A2 COMPOSITIONS AND TREATMENTS FOR INHIBITING KINASE AND/OR HMG-COA REDUCTASE NUMERATE, INC. (US) 2007-05-03 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-20090227602-A1 COMPOSITIONS AND TREATMENTS FOR INHIBITING KINASE AND/OR HMG-COA REDUCTASE HMGCR, HMGB3, HMGB2 TP53 3680/4885CA12 4574/4885CA1 3698/4885
US-20150344481-A1 NOVEL SUBSTITUTED IMIDAZOLES AS CASEIN KINASE 1 D/E INHIBITORS CSNK1E, CSNK1A1, CSNK1G1 TP53 991/4885CA12 3773/4885CA1 2062/4885

“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.