SCHEMBL5741473

SCHEMBL5741473

C=Cc1ccccc1S(=O)(=O)N1CCN(CC2(NC(=O)OCCC)CCN(c3ccncc3)CC2)C(=O)C1

nearest known ligand 0.34

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 7/20 0.34
ITGA2B P08514 7/20 0.34
SPHK1 Q9NYA1 2/20 0.33
CYP2D6 P10635 3/20 0.33
HIF1A Q16665 2/20 0.33
CYP1A2 P05177 2/20 0.33
CYP2C19 P33261 2/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
CYP3A4 P08684 2/20 0.33
CYP2C9 P11712 2/20 0.33
CHRM1 P11229 2/20 0.32
TSHR P16473 2/20 0.31
F10 P00742 2/20 0.31
TP53 P04637 1/20 0.31
HPGD P15428 1/20 0.31
LSS P48449 1/20 0.30
MMP2 P08253 1/20 0.30
MMP13 P45452 1/20 0.30
ADAM17 P78536 1/20 0.30

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
SCHEMBL5740503 0.94 CYP2D6 (0.34) ITGB3ITGA2BCYP2D6HIF1ACYP1A2
SCHEMBL5742122 0.92 HIF1A (0.36) ITGB3ITGA2BCYP2D6HIF1ACYP1A2
SCHEMBL5741290 0.88 CYP1A2 (0.37) ITGB3ITGA2BSPHK1CYP2D6HIF1A
SCHEMBL5740527 0.81 ATM (0.39) ITGB3ITGA2BCYP2D6HIF1ACYP1A2
SCHEMBL5740885 0.80 F10 (0.52) F10
SCHEMBL5740189 0.79 SMN1; SMN2 (0.39) ITGB3ITGA2BCYP2D6HIF1ACYP1A2
SCHEMBL5757205 0.78 F10 (0.35) ITGB3ITGA2BF10
SCHEMBL5742755 0.77 LSS (0.44) ITGB3ITGA2BCYP2D6HIF1ACYP1A2
SCHEMBL5744431 0.74 F10 (0.43) F10LSSMMP2MMP13ADAM17
SCHEMBL5741044 0.74 F10 (0.53) F10

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-7109200-B2 Carbamate derivatives, process for producing the same and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2006-09-19 US disclosed
EP-1340753-B1 CARBAMATE DERIVATIVES, PROCESS FOR PRODUCING THE SAME AND USE THEREOF TAKEDA PHARMACEUTICAL (JP) 2006-01-11 EP disclosed
US-20040038986-A1 Carbamate derivatives, process for producing the same and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2004-02-26 US disclosed
EP-1340753-A1 CARBAMATE DERIVATIVES, PROCESS FOR PRODUCING THE SAME AND USE THEREOF Takeda Chemical Industries, Ltd. (JP) 2003-09-03 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-20040038986-A1 Carbamate derivatives, process for producing the same and use thereof CFH, F11, F2 ITGB3 1001/4885ITGA2B 882/4885SPHK1 4050/4885

“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.