SCHEMBL5219632

SCHEMBL5219632

CC(C)(C)c1ccc(-c2nc(Nc3ccc(S(N)(=O)=O)cc3)nc3ccccc23)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.53
MAPT P10636 1/20 0.53
MAPK1 P28482 1/20 0.53
CA9 Q16790 8/20 0.51
CA1 P00915 8/20 0.51
CA2 P00918 8/20 0.51
CA12 O43570 4/20 0.51
CCNT1 O60563 1/20 0.49
CDK1 P06493 1/20 0.49
CCNB1 P14635 1/20 0.49
CDK2 P24941 1/20 0.49
CDK7 P50613 1/20 0.49
CDK9 P50750 1/20 0.49
CCNH P51946 1/20 0.49
ENPP3 O14638 5/20 0.49
CA4 P22748 1/20 0.48
CA6 P23280 1/20 0.48
CA5A P35218 1/20 0.48
CA7 P43166 1/20 0.48
CA13 Q8N1Q1 1/20 0.48

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
SCHEMBL21497081 0.77 NPC1 (0.68) MAPTMAPK1CA9CA1CA2
SCHEMBL5218874 0.75 TP53 (0.77) LMNAMAPTCA9CA1CA2
SCHEMBL5221587 0.75 MAPT (0.70) LMNAMAPTCA9CA1CA2
SCHEMBL22180465 0.73 MAPT (0.73) LMNAMAPTMAPK1ABCG2
SCHEMBL5221497 0.72 TP53 (0.50) MAPTCA9CA1CA2CA12
SCHEMBL12274280 0.70 MAPT (0.65) LMNAMAPTMAPK1ABCG2
SCHEMBL10331298 0.70 MAPT (0.64) LMNAMAPTMAPK1ABCG2
Benzene SCHEMBL28899784 0.70 MAPT (0.61) LMNAMAPTMAPK1ENPP3ABCG2
SCHEMBL4147023 0.70 MAPT (0.61) LMNAMAPTMAPK1ENPP3ABCG2
SCHEMBL18118194 0.70 CA2 (0.67) CA9CA1CA2CA12CA14

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1618094-A1 SUBSTITUTED HETEROARYLS AS INHIBITORS OF PROTEIN TYROSINE PHOSPHATASES The Institutes for Pharmaceutical Discovery, LLC (US) 2006-01-25 EP claimed
US-20050009817-A1 Substituted heteroaryls INSTITUTES FOR PHARMACEUTICAL DISCOVERY, L.L.C. 2005-01-13 US claimed
WO-2004099159-A1 SUBSTITUTED HETEROARYLS AS INHIBITORS OF PROTEIN TYROSINE PHOSPHATASES THE INSTITUTES FOR PHARMACEUTICAL DISCOVERY, LLC (US) 2004-11-18 WO claimed
EP-1618094-B1 SUBSTITUTED HETEROARYLS AS INHIBITORS OF PROTEIN TYROSINE PHOSPHATASES INST FOR PHARM DISCOVERY INC (US) 2007-09-05 EP disclosed
EP-1618094-B1 SUBSTITUTED HETEROARYLS AS INHIBITORS OF PROTEIN TYROSINE PHOSPHATASES INST FOR PHARM DISCOVERY INC (US) 2007-09-05 EP disclosed
US-20050009817-A1 Substituted heteroaryls INSTITUTES FOR PHARMACEUTICAL DISCOVERY, L.L.C. 2005-01-13 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 (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-20050009817-A1 Substituted heteroaryls PTPRS, PTPRO, PTPRR LMNA 4360/4885MAPT 1878/4885MAPK1 1284/4885

“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.