SCHEMBL19082733

SCHEMBL19082733

[2H]C1(S(=O)(=O)c2c(Cl)ccc3nc(C(C)(C)C)oc23)CCN(C2CCC2)CC1

nearest known ligand 0.34

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ CXCR2 P25025 1/20 0.34
▸ HTR6 P50406 1/20 0.32
▸ KDM2B Q8NHM5 2/20 0.32
▸ ALDH1A1 P00352 2/20 0.31
▸ MEN1 O00255 1/20 0.31
▸ MAPK1 P28482 1/20 0.31
▸ KMT2A Q03164 1/20 0.31
▸ KDM4E B2RXH2 1/20 0.31
▸ MAPT P10636 1/20 0.31
▸ NPSR1 Q6W5P4 1/20 0.31
▸ HRH3 Q9Y5N1 4/20 0.30
▸ KCNH2 Q12809 3/20 0.30
▸ SGK1 O00141 1/20 0.30
▸ LMNA P02545 1/20 0.30
▸ ADRA1A P35348 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
SCHEMBL17293505 0.90 CXCR2 (0.42) CXCR2HTR6KDM2BALDH1A1MEN1
SCHEMBL17293567 0.83 CXCR2 (0.35) CXCR2HTR6ALDH1A1KDM4EMAPT
SCHEMBL17293468 0.82 CXCR2 (0.44) CXCR2HTR6KDM2BALDH1A1MEN1
SCHEMBL19082732 0.81 STS (0.46) MEN1KMT2AKDM4EMAPT
SCHEMBL17293353 0.81 CXCR2 (0.41) CXCR2ALDH1A1KDM4EMAPTNPSR1
SCHEMBL17293354 0.81 CXCR2 (0.41) CXCR2ALDH1A1KDM4EMAPTNPSR1
SCHEMBL17293616 0.81 CXCR2 (0.34) CXCR2HTR6KDM2BALDH1A1MEN1
SCHEMBL17293266 0.80 KDM4E (0.31) ALDH1A1KDM4EMAPTNPSR1
SCHEMBL19065846 0.80 KDM4E (0.31) ALDH1A1KDM4EMAPTNPSR1
SCHEMBL5711785 0.80 ALDH1A1 (0.46) CXCR2ALDH1A1MEN1MAPK1KMT2A

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 CXCR2 1/4885HTR6 873/4885KDM2B 3726/4885

“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