SCHEMBL5846226

SCHEMBL5846226

COC(=O)CCSc1ccc(C(=O)Nc2ccc(F)cc2)cn1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
CXCR2 P25025 19/20 1.00
CXCR1 P25024 13/20 1.00
KDM4E B2RXH2 1/20 0.58

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
SCHEMBL5846271 0.88 CXCR2 (1.00) CXCR2CXCR1
SCHEMBL5845348 0.87 CXCR2 (0.89) CXCR2CXCR1KDM4E
SCHEMBL5660669 0.86 CXCR2 (0.76) CXCR2CXCR1
SCHEMBL5846781 0.84 CXCR2 (1.00) CXCR2CXCR1KDM4E
SCHEMBL3207238 0.83 CXCR2 (0.75) CXCR2CXCR1
SCHEMBL6850672 0.81 CXCR2 (0.84) CXCR2CXCR1
SCHEMBL5845566 0.80 CXCR2 (0.81) CXCR2CXCR1
SCHEMBL5845286 0.80 CXCR2 (1.00) CXCR2CXCR1
SCHEMBL5845444 0.79 CXCR2 (1.00) CXCR2CXCR1
SCHEMBL5847562 0.79 CXCR2 (0.76) CXCR2CXCR1

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-7151112-B1 Pharmaceutical uses and synthesis of nicotinamides UCB SA (GB) 2006-12-19 US disclosed
US-7012099-B2 Using substituted 4-amino-1- phenylbutan-2-ol compounds in form of their racemates, enantiomers, diastereoisomers or corresponding bases or corresponding salts of acids as regulators for the nociceptin/orphanin FQ ligands in drugs GRUENENTHAL GMBH (DE) 2006-03-14 US disclosed
US-6777432-B1 TREATING A SUBJECT HAVING AN INFLAMMATORY DISORDER ALLEVIATED BY THE INHIBITION OF GRO- ALPHA CYTOKINES DARWIN MOLECULAR CORPORATION 2004-08-17 US disclosed
US-20030008859-A1 Use of substituted 4-amino-1-phenylbutan-2-ol compounds as medicaments GRUENENTHAL GMBH (DE) 2003-01-09 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-20030008859-A1 Use of substituted 4-amino-1-phenylbutan-2-ol compounds as medicaments OPRL1, OPRM1, OPRK1 CXCR2 1520/4885CXCR1 2201/4885KDM4E 4401/4885

“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.