SCHEMBL6893772

SCHEMBL6893772

CS(=O)(=O)OCCC1CCN(c2ccncc2)CC1

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CYP2C19 P33261 3/20 0.44
CYP1A2 P05177 2/20 0.44
CYP2D6 P10635 2/20 0.44
TSHR P16473 1/20 0.44
LSS P48449 2/20 0.40
CYP2C9 P11712 2/20 0.40
HIF1A Q16665 2/20 0.40
CHKA P35790 1/20 0.40
HRH3 Q9Y5N1 2/20 0.39
DRD2 P14416 1/20 0.39
DRD3 P35462 1/20 0.39
F10 P00742 4/20 0.39
ITGB3 P05106 2/20 0.38
ITGA2B P08514 2/20 0.38
MAPT P10636 1/20 0.38
GPR119 Q8TDV5 2/20 0.38
CYP3A4 P08684 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38

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
SCHEMBL6895764 0.86 CYP2C19 (0.46) CYP2C19CYP1A2CYP2D6TSHRLSS
SCHEMBL28179029 0.79 CYP2C19 (0.49) CYP2C19CYP1A2CYP2D6TSHRLSS
SCHEMBL24754433 0.77 MEN1 (0.48) TSHRCYP2C9MAPTSMN1; SMN2
SCHEMBL31701145 0.77 CA12 (0.39) F10CYP3A4SMN1; SMN2
SCHEMBL21101188 0.76 CHKA (0.50) LSSCHKAHRH3DRD2DRD3
SCHEMBL4712975 0.76 CHKA (0.50) LSSCHKAHRH3DRD2DRD3
SCHEMBL4714567 0.76 CHKA (0.50) LSSCHKAHRH3DRD2DRD3
SCHEMBL28179874 0.76 CYP2C19 (0.53) CYP2C19CYP1A2CYP2D6TSHRLSS
SCHEMBL28179028 0.76 CHKA (0.46) LSSCHKAHRH3DRD2DRD3
SCHEMBL237767 0.75 HRH3 (0.50) TSHRHRH3DRD2MAPTSMN1; SMN2

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 5 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
CN-1290254-A Sulfonamide derivatives process for producing the same and utilization thereof TAKEDA CHEMICAL INDUSTRIES LTD (JP) 2001-04-04 CN 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 CYP2C19 82/4885CYP1A2 201/4885CYP2D6 629/4885

“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.