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SCHEMBL485830

SCHEMBL485830

COC(=O)[C@@H](NC(=O)c1ccc2ccccc2c1Br)C(C)C

nearest known ligand 0.55

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ TACR3 P29371 2/20 0.55
▸ NCEH1 Q6PIU2 2/20 0.51
▸ CNR2 P34972 4/20 0.47
▸ CNR1 P21554 3/20 0.47
▸ TAS1R3 Q7RTX0 1/20 0.44
▸ TAS1R1 Q7RTX1 1/20 0.44
▸ BCL2L1 Q07817 1/20 0.43
▸ MEN1 O00255 1/20 0.43
▸ KMT2A Q03164 1/20 0.43
▸ ELANE P08246 2/20 0.40
▸ HPGD P15428 1/20 0.40
▸ SMN1; SMN2 Q16637 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
SCHEMBL485832 1.00 TACR3 (0.55) TACR3NCEH1CNR2CNR1TAS1R3
SCHEMBL485818 0.87 NCEH1 (0.50) TACR3NCEH1CNR2CNR1BCL2L1
SCHEMBL485817 0.87 NCEH1 (0.50) TACR3NCEH1CNR2CNR1BCL2L1
SCHEMBL3933246 0.86 TACR3 (0.56) TACR3CNR2CNR1MEN1KMT2A
SCHEMBL3926255 0.86 TACR3 (0.56) TACR3CNR2CNR1MEN1KMT2A
SCHEMBL3926244 0.86 TACR3 (0.56) TACR3CNR2CNR1MEN1KMT2A
SCHEMBL2606588 0.74 NCEH1 (0.53) NCEH1MEN1KMT2AHPGDSMN1; SMN2
SCHEMBL15505756 0.74 PLK1 (0.64) NCEH1MEN1KMT2AHPGDSMN1; SMN2
SCHEMBL5431408 0.74 TACR3 (0.54) TACR3CNR2CNR1TAS1R3TAS1R1
SCHEMBL607371 0.73 NCEH1 (0.42) NCEH1HPGDSMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8283479-B2 CXCR2 inhibitors SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2012-10-09 — — US disclosed
EP-1836158-B1 FUSED BICYCLIC CARBOXAMIDE DERIVATIVES FOR USE AS CXCR2 INHIBITORS IN THE TREATMENT OF INFLAMMATION SANOFI AVENTIS DEUTSCHLAND (DE) 2012-02-01 — — EP disclosed
US-20110184177-A1 CXCR2 INHIBITORS SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2011-07-28 — — US disclosed
US-7919628-B2 2-[(1-Benzyloxy-naphthalene-2-carbonyl)-amino]-2-methyl-propionic acid; inhibitors of chemokine receptors; treatment or prophylaxis of acute and chronic inflammatory diseases such as atherosclerosis, ischemic or reperfusion injuries, chronic obstructive pulmonary disease, asthma, rheumatoid arthritis SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2011-04-05 — — US disclosed
US-20080090854-A1 CXCR2 INHIBITORS SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2008-04-17 — — US disclosed
CN-101094830-A Fused bicyclic carboxamide derivatives for use as CXCR2 inhibitors in the treatment of inflammation SANOFI AVENTIS DEUTSCHLAND (DE) 2007-12-26 — — CN 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 (2 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-20110184177-A1 CXCR2 INHIBITORS CXCR2, CXCR1, CXCR4 TACR3 754/4885NCEH1 1275/4885CNR2 204/4885
US-20080090854-A1 CXCR2 INHIBITORS CXCR2, CXCR1, CXCR4 TACR3 754/4885NCEH1 1275/4885CNR2 204/4885

“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.