SCHEMBL6895536

SCHEMBL6895536

O=C1CN(S(=O)(=O)c2ccc(C=CCl)cc2)CCN1CC1CCN(c2ccncc2)CC1

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
LSS P48449 2/20 0.44
CYP17A1 P05093 9/20 0.41
CYP21A2 P08686 7/20 0.41
CYP11B1 P15538 7/20 0.41
F10 P00742 5/20 0.41
CYP3A4 P08684 2/20 0.38
CHRM1 P11229 1/20 0.38
CYP19A1 P11511 1/20 0.38
CYP1A2 P05177 1/20 0.37
CYP2D6 P10635 1/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
HIF1A Q16665 1/20 0.37
NAMPT P43490 1/20 0.37

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
SCHEMBL6895530 1.00 LSS (0.44) LSSCYP17A1CYP21A2CYP11B1F10
Hydrochloric Acid SCHEMBL6887407 0.99 LSS (0.43) LSSCYP17A1CYP21A2CYP11B1F10
Hydrochloric Acid SCHEMBL6887403 0.99 LSS (0.43) LSSCYP17A1CYP21A2CYP11B1F10
SCHEMBL6886617 0.91 LSS (0.42) LSSCYP17A1CYP21A2CYP11B1F10
SCHEMBL6886612 0.91 LSS (0.42) LSSCYP17A1CYP21A2CYP11B1F10
Hydrochloric Acid SCHEMBL6894262 0.90 LSS (0.41) LSSCYP17A1CYP21A2CYP11B1F10
Hydrochloric Acid SCHEMBL6894272 0.90 LSS (0.41) LSSCYP17A1CYP21A2CYP11B1F10
SCHEMBL6891060 0.89 LSS (0.43) LSSCYP17A1CYP21A2CYP11B1F10
Hydrochloric Acid SCHEMBL6893656 0.88 LSS (0.43) LSSCYP17A1CYP21A2CYP11B1F10
SCHEMBL6887379 0.87 LSS (0.45) LSSF10CYP3A4CHRM1CYP1A2

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 LSS 1250/4885CYP17A1 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.