SCHEMBL485547

SCHEMBL485547

COC(=O)C(C)(C)NC(=O)c1sc2ccc(F)cc2c1OCc1nc2ccccc2s1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 5/20 0.45
NPC1 O15118 5/20 0.45
SMN1; SMN2 Q16637 4/20 0.45
KMT2A Q03164 2/20 0.45
MAPT P10636 4/20 0.44
HTT P42858 2/20 0.44
CXCR2 P25025 1/20 0.43
PKM P14618 1/20 0.43
CYP1A2 P05177 1/20 0.41
CYP2C19 P33261 1/20 0.41
MEN1 O00255 1/20 0.41
ALDH1A1 P00352 1/20 0.41
HPGD P15428 1/20 0.41
HSD17B10 Q99714 1/20 0.41
PTGDR2 Q9Y5Y4 2/20 0.40
F9 P00740 1/20 0.40
F10 P00742 1/20 0.40
ALOX5 P09917 2/20 0.40
EPHX2 P34913 2/20 0.40
PTGER4 P35408 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
SCHEMBL485074 0.92 CXCR2 (0.52) RAB9ANPC1SMN1; SMN2KMT2AMAPT
SCHEMBL27693306 0.86 NPC1 (0.44) RAB9ANPC1SMN1; SMN2KMT2AMAPT
SCHEMBL485388 0.85 CXCR2 (0.57) RAB9ANPC1SMN1; SMN2KMT2AMAPT
SCHEMBL485308 0.81 CXCR2 (0.64) RAB9ANPC1SMN1; SMN2KMT2AMAPT
SCHEMBL485778 0.79 CNR2 (0.39) CXCR2
SCHEMBL485674 0.75 CXCR2 (0.51) RAB9ANPC1SMN1; SMN2KMT2AMAPT
SCHEMBL484998 0.74 CNR2 (0.38) RAB9ANPC1KMT2ACXCR2MEN1
SCHEMBL485739 0.74 CXCR2 (0.52) RAB9ANPC1SMN1; SMN2KMT2AMAPT
SCHEMBL485408 0.73 NPC1 (0.46) RAB9ANPC1SMN1; SMN2KMT2AMAPT
SCHEMBL485190 0.73 PTGER4 (0.46) RAB9ANPC1SMN1; SMN2KMT2ACXCR2

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 7 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
EP-1836158-A1 FUSED BICYCLIC CARBOXAMIDE DERIVATIVES FOR USE AS CXCR2 INHIBITORS IN THE TREATMENT OF INFLAMMATION Sanofi-Aventis Deutschland GmbH (DE) 2007-09-26 EP disclosed
WO-2006069656-A1 FUSED BICYCLIC CARBOXAMIDE DERIVATIVES FOR USE AS CXCR2 INHIBITORS IN THE TREATMENT OF INFLAMMATION SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2006-07-06 WO 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 RAB9A 1404/4885NPC1 1259/4885SMN1; SMN2 4381/4885
US-20080090854-A1 CXCR2 INHIBITORS CXCR2, CXCR1, CXCR4 RAB9A 1404/4885NPC1 1259/4885SMN1; SMN2 4381/4885

“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.