SCHEMBL6891073

SCHEMBL6891073

CC(C)(C)OC(=O)N1CCC(CN2C=CN(C(=O)OCc3ccccc3)CC2=O)(NS(C)(=O)=O)CC1

nearest known ligand 0.40

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
STS P08842 1/20 0.40
P2RX7 Q99572 8/20 0.39
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
GPR119 Q8TDV5 2/20 0.37
TSHR P16473 2/20 0.37
ALOX15 P16050 1/20 0.37
MAPT P10636 1/20 0.37
TACR1 P25103 1/20 0.37
OPRD1 P41143 1/20 0.37
OPRK1 P41145 1/20 0.37
HTT P42858 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
SCHEMBL6891077 0.86 CYP2D6 (0.40) MEN1KMT2ATSHRHTT
SCHEMBL6896015 0.84 TACR1 (0.40) STSP2RX7MEN1KMT2AGPR119
SCHEMBL6893895 0.74 GPR119 (0.44) STSGPR119HTT
SCHEMBL6892101 0.73 KMT2A (0.39) MEN1KMT2AHTT
SCHEMBL30121349 0.72 MEN1 (0.54) STSMEN1KMT2AGPR119TACR1
SCHEMBL1842426 0.70 MEN1 (0.61) STSMEN1KMT2AGPR119MAPT
SCHEMBL607180 0.70 MEN1 (0.46) STSP2RX7MEN1KMT2ATSHR
SCHEMBL30954946 0.70 SMN1; SMN2 (0.46) MEN1KMT2AHTT
SCHEMBL5729683 0.70 SYK (0.43) KMT2A
SCHEMBL27225803 0.70 USP30 (0.49) STSMEN1KMT2ATACR1OPRD1

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 STS 13/4885P2RX7 2561/4885MEN1 473/4885

“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.