SCHEMBL6891094

SCHEMBL6891094

O=C1CN(S(=O)(=O)c2ccc(Cn3ccnc3)cc2)CCN1CC1CCN(c2ccncc2)CC1

nearest known ligand 0.45

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CYP17A1 P05093 13/20 0.45
CYP21A2 P08686 12/20 0.45
CYP11B1 P15538 12/20 0.45
CYP19A1 P11511 5/20 0.42
LSS P48449 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP7A1 P22680 1/20 0.40

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
Hydrochloric Acid SCHEMBL6895595 0.99 CYP17A1 (0.45) CYP17A1CYP21A2CYP11B1CYP19A1LSS
Hydrochloric Acid SCHEMBL6891758 0.86 CYP19A1 (0.43) CYP17A1CYP21A2CYP11B1CYP19A1
Hydrochloric Acid SCHEMBL6891778 0.86 CYP19A1 (0.43) CYP17A1CYP21A2CYP11B1CYP19A1
Hydrochloric Acid SCHEMBL6888286 0.84 THRB (0.43) LSSCYP3A4
Hydrochloric Acid SCHEMBL6896902 0.83 CYP19A1 (0.42) CYP17A1CYP21A2CYP11B1CYP19A1
SCHEMBL6887379 0.83 LSS (0.45) LSSCYP3A4
Hydrochloric Acid SCHEMBL6893853 0.82 LSS (0.45) LSSCYP3A4
SCHEMBL6896865 0.81 LSS (0.50) LSSCYP3A4
SCHEMBL6895390 0.81 TP53 (0.43) CYP19A1
SCHEMBL6895530 0.81 LSS (0.44) CYP17A1CYP21A2CYP11B1CYP19A1LSS

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 CYP17A1 575/4885CYP21A2 205/4885CYP11B1 893/4885

“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.