SCHEMBL6895645

SCHEMBL6895645

CC(=O)OC1(CN2CCN(S(=O)(=O)C3=Cc4ccc(Cl)cc4OC3)CC2=O)CCN(c2ccncc2)CC1

nearest known ligand 0.39

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
F10 P00742 14/20 0.39
CYP17A1 P05093 4/20 0.33
CYP21A2 P08686 3/20 0.33
CYP11B1 P15538 3/20 0.33
ITGB3 P05106 1/20 0.32
ITGA2B P08514 1/20 0.32
CYP3A4 P08684 2/20 0.32
CYP19A1 P11511 2/20 0.32
TP53 P04637 1/20 0.32

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
SCHEMBL6891837 0.93 F10 (0.37) F10CYP17A1CYP21A2CYP11B1ITGB3
SCHEMBL6895943 0.88 F10 (0.40) F10CYP17A1CYP21A2CYP11B1ITGB3
SCHEMBL6895080 0.87 F10 (0.38) F10ITGB3ITGA2B
SCHEMBL5741415 0.87 F10 (0.37) F10ITGB3ITGA2B
SCHEMBL5740694 0.84 F10 (0.36) F10
SCHEMBL6887451 0.84 F10 (0.37) F10CYP17A1CYP21A2CYP11B1
SCHEMBL5757205 0.83 F10 (0.35) F10ITGB3ITGA2B
SCHEMBL6895637 0.82 F10 (0.37) F10CYP17A1CYP21A2CYP11B1
SCHEMBL7056708 0.82 F10 (0.58) F10
SCHEMBL6895563 0.81 F10 (0.38) F10CYP17A1CYP21A2CYP11B1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6680312-B2 FOR THERAPY OF CARDIAC INFARCTION, CEREBRAL THROMBOSIS; INHIBIT ACTIVATED COAGULATION FACTOR X (FXA) TO SHOW ANTI-COAGULANT ACTIVITY TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2004-01-20 US disclosed
US-20020193382-A1 Sulfonamide derivatives, their production and use TAKEDA PHARMACEUTICAL COMPANY, LIMITED (JP) 2002-12-19 US disclosed
US-6403595-B1 ANTICOAGULANTS TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2002-06-11 US disclosed
EP-1054005-A1 SULFONAMIDE DERIVATIVES, PROCESS FOR PRODUCING THE SAME AND UTILIZATION THEREOF Takeda Chemical Industries, Ltd. (JP) 2000-11-22 EP 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-20020193382-A1 Sulfonamide derivatives, their production and use F12, F11, F2 F10 5/4885CYP17A1 575/4885CYP21A2 205/4885

“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.