SCHEMBL19082732

SCHEMBL19082732

[2H]C1(S(=O)(=O)c2c(Cl)ccc3nc(C(C)(C)C)oc23)CCN(C(=O)OC(C)(C)C)CC1

nearest known ligand 0.46

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ STS P08842 6/20 0.46
▸ MAPT P10636 2/20 0.38
▸ MMP13 P45452 1/20 0.38
▸ GPR119 Q8TDV5 5/20 0.37
▸ NPBWR1 P48145 1/20 0.37
▸ MCHR1 Q99705 1/20 0.37
▸ FAAH O00519 1/20 0.37
▸ KDM4E B2RXH2 1/20 0.37
▸ CNR1 P21554 2/20 0.36
▸ MEN1 O00255 1/20 0.36
▸ KMT2A Q03164 1/20 0.36

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
SCHEMBL17293254 0.91 STS (0.48) STSMAPTMMP13GPR119NPBWR1
SCHEMBL12662260 0.87 STS (0.44) STSMAPTMMP13GPR119NPBWR1
SCHEMBL19065819 0.87 STS (0.42) STSMAPTMMP13GPR119NPBWR1
SCHEMBL22606389 0.85 CXCR2 (0.41) STSGPR119MEN1KMT2A
SCHEMBL12662153 0.84 CXCR2 (0.49) STS
SCHEMBL2785669 0.84 TGM2 (0.46) STSMAPTGPR119MEN1KMT2A
SCHEMBL17293460 0.83 NAMPT (0.41) STSGPR119
SCHEMBL17293347 0.81 STS (0.41) STSMMP13GPR119MEN1KMT2A
SCHEMBL17293329 0.81 STS (0.41) STSMMP13GPR119
SCHEMBL19082747 0.80 HSD11B1 (0.39) STSMAPTGPR119

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170190681-A1 1-(CYCLOPENT-2-EN-1-YL)-3-(2-HYDROXY-3-(ARYLSULFONYL)PHENYL)UREA DERIVATIVES AS CXCR2 INHIBITORS Glaxosmithline Intellectual Property Development Limited (GB) 2017-07-06 — — US 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-20170190681-A1 1-(CYCLOPENT-2-EN-1-YL)-3-(2-HYDROXY-3-(ARYLSULFONYL)PHENYL)UREA DERIVATIVES AS CXCR2 INHIBITORS CXCR2, CXCR1, CXCR3 STS 3142/4885MAPT 3694/4885MMP13 1135/4885

“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.

Send feedback