SCHEMBL6893878

SCHEMBL6893878

C#Cc1cccc(S(=O)(=O)N2CCN(CC3CCN(c4ccncc4)CC3)C(=O)C2)c1

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
LSS P48449 2/20 0.44
CHRM1 P11229 7/20 0.41
F10 P00742 4/20 0.40
TPSAB1 Q15661 1/20 0.39
CYP3A4 P08684 2/20 0.38
CYP2C9 P11712 2/20 0.38
CYP1A2 P05177 1/20 0.38
CYP2D6 P10635 1/20 0.38
CYP2C19 P33261 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
HIF1A Q16665 1/20 0.38
CYP17A1 P05093 1/20 0.37
CYP21A2 P08686 1/20 0.37
CYP11B1 P15538 1/20 0.37
AKR1C3 P42330 1/20 0.36
MAPK1 P28482 1/20 0.35
HTR7 P34969 1/20 0.35
HTR6 P50406 1/20 0.35

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 SCHEMBL6895872 0.99 LSS (0.43) LSSCHRM1F10TPSAB1CYP3A4
SCHEMBL6894706 0.89 LSS (0.46) LSSCHRM1F10TPSAB1CYP3A4
Hydrochloric Acid SCHEMBL6893869 0.88 LSS (0.45) LSSCHRM1F10TPSAB1CYP3A4
SCHEMBL6895602 0.86 LSS (0.45) LSSCHRM1F10TPSAB1CYP3A4
Hydrochloric Acid SCHEMBL6892059 0.85 LSS (0.44) LSSCHRM1F10TPSAB1CYP3A4
Hydrochloric Acid SCHEMBL6894374 0.84 LSS (0.47) LSSCHRM1F10TPSAB1CYP3A4
Hydrochloric Acid SCHEMBL6892161 0.83 LSS (0.41) LSSCHRM1F10TPSAB1CYP3A4
SCHEMBL8114940 0.82 TPSAB1 (0.55) LSSCHRM1F10TPSAB1SMN1; SMN2
Hydrochloric Acid SCHEMBL6894320 0.82 CHRM1 (0.48) LSSCHRM1F10TPSAB1SMN1; SMN2
SCHEMBL8127279 0.80 F10 (0.46) LSSF10TPSAB1HTR7HTR6

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 1250/4885CHRM1 2909/4885F10 5/4885

“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.