SCHEMBL6888393

SCHEMBL6888393

CC(C)(C)OC(=O)N1CCC(CN2CCN(S(=O)(=O)c3ccc(Br)s3)CC2=O)CC1

nearest known ligand 0.52

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.52
MAPK1 P28482 1/20 0.48
FPR2 P25090 1/20 0.45
ALDH1A1 P00352 4/20 0.42
KMT2A Q03164 2/20 0.42
TSHR P16473 2/20 0.42
GAA P10253 1/20 0.42
MAPT P10636 2/20 0.42
KDM4E B2RXH2 2/20 0.42
HTT P42858 2/20 0.42
PKM P14618 2/20 0.41
MEN1 O00255 1/20 0.41
GPR119 Q8TDV5 2/20 0.41
LMNA P02545 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
EPHX2 P34913 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
SCHEMBL6896849 0.88 KDM4E (0.41) POLBFPR2MAPTKDM4EPKM
SCHEMBL6893849 0.85 MMP13 (0.46) FPR2MAPTKDM4EGPR119
SCHEMBL6892069 0.81 FPR2 (0.47) FPR2GPR119
SCHEMBL1348953 0.81 POLB (0.72) POLBMAPK1ALDH1A1KMT2ATSHR
SCHEMBL6894470 0.81 GPR119 (0.46) FPR2GPR119
SCHEMBL4388695 0.81 F10 (0.54)
SCHEMBL6895742 0.80 GPR119 (0.46) FPR2GPR119
SCHEMBL6894313 0.79 TGM2 (0.46) FPR2GPR119
SCHEMBL6896691 0.79 FPR2 (0.42) FPR2KDM4EPKMGPR119
SCHEMBL6896081 0.78 FPR2 (0.42) FPR2KDM4EPKMGPR119

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 POLB 3581/4885MAPK1 758/4885FPR2 357/4885

“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.