SCHEMBL6887496

SCHEMBL6887496

CS(=O)(=O)NC1(CN)CCN(Cc2ccccc2)CC1

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 6/20 0.48
MEN1 O00255 2/20 0.48
KMT2A Q03164 2/20 0.48
ALDH1A1 P00352 2/20 0.47
CYP3A4 P08684 3/20 0.47
HSD17B10 Q99714 1/20 0.47
MC4R P32245 1/20 0.46
TSHR P16473 2/20 0.46
NPFFR1 Q9GZQ6 1/20 0.46
NPFFR2 Q9Y5X5 1/20 0.46
SIGMAR1 Q99720 1/20 0.45
POLB P06746 2/20 0.45
OPRL1 P41146 2/20 0.44
CYP2C9 P11712 2/20 0.44
CYP2C19 P33261 2/20 0.44
HIF1A Q16665 1/20 0.43
RECQL P46063 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43

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
SCHEMBL7315167 0.80 OPRL1 (0.52) CYP2D6MEN1KMT2AALDH1A1CYP3A4
SCHEMBL7248696 0.79 CYP2D6 (0.46) CYP2D6MEN1KMT2AALDH1A1CYP3A4
SCHEMBL9232773 0.77 CYP3A4 (0.51) CYP2D6MEN1KMT2AALDH1A1CYP3A4
SCHEMBL6631726 0.73 CYP3A4 (0.50) CYP2D6MEN1KMT2AALDH1A1CYP3A4
SCHEMBL14716284 0.73 CYP3A4 (0.57) CYP2D6MEN1KMT2AALDH1A1CYP3A4
SCHEMBL22576562 0.73 ALDH1A1 (0.50) CYP2D6MEN1KMT2AALDH1A1CYP3A4
SCHEMBL3334062 0.73 SIGMAR1 (0.61) CYP2D6MEN1KMT2AALDH1A1CYP3A4
SCHEMBL20571837 0.73 OPRL1 (0.54) CYP2D6MEN1KMT2AALDH1A1CYP3A4
SCHEMBL7253609 0.72 CYP3A4 (0.49) CYP2D6MEN1KMT2AALDH1A1CYP3A4
SCHEMBL7831492 0.72 NPFFR1 (0.54) ALDH1A1NPFFR1NPFFR2SIGMAR1POLB

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 CYP2D6 629/4885MEN1 473/4885KMT2A 1097/4885

“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.