SCHEMBL484998

SCHEMBL484998

COC(=O)C(C)(C)NC(=O)c1sc2ccc(F)cc2c1O

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 4/20 0.38
CXCR2 P25025 1/20 0.38
MAOB P27338 2/20 0.35
PTGS1 P23219 1/20 0.35
CASP3 P42574 1/20 0.35
GPER1 Q99527 1/20 0.35
CMA1 P23946 1/20 0.35
RAB9A P51151 2/20 0.35
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
NPC1 O15118 1/20 0.35
GAA P10253 1/20 0.35
CLK1 P49759 3/20 0.35
MTNR1A P48039 2/20 0.35
MTNR1B P49286 2/20 0.35
CLK2 P49760 1/20 0.34
BCKDK O14874 1/20 0.34
ICAM1 P05362 1/20 0.33
SELE P16581 1/20 0.33
LMNA P02545 1/20 0.33

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
SCHEMBL31078753 0.79 LMNA (0.48) CMA1MEN1KMT2AGAAMTNR1A
SCHEMBL27713071 0.79 ERAP1 (0.39) CXCR2MAOBPTGS1CASP3GPER1
SCHEMBL485778 0.76 CNR2 (0.39) CNR2CXCR2
SCHEMBL485547 0.74 RAB9A (0.45) CXCR2RAB9AMEN1KMT2ANPC1
SCHEMBL9857187 0.71 IKBKB (0.44) MTNR1AMTNR1BCLK2BCKDKICAM1
SCHEMBL6417004 0.71 CES2 (0.47) CNR2RAB9ANPC1GAALMNA
SCHEMBL28174495 0.68 LMNA (0.63) CMA1MEN1KMT2AGAALMNA
SCHEMBL2471545 0.68 LMNA (0.41) CNR2CMA1RAB9AMEN1KMT2A
SCHEMBL9857778 0.68 MEN1 (0.39) MAOBRAB9AMEN1KMT2ANPC1
SCHEMBL485845 0.67 CXCR2 (0.46) CXCR2

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 5 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

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 CNR2 204/4885CXCR2 1/4885MAOB 1731/4885
US-20080090854-A1 CXCR2 INHIBITORS CXCR2, CXCR1, CXCR4 CNR2 204/4885CXCR2 1/4885MAOB 1731/4885

“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.