SCHEMBL485550

SCHEMBL485550

COC(=O)C(C)(C)NC(=O)c1ccc2ccccc2c1OC(C)c1nc2ccccc2s1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 2/20 0.46
ALDH1A1 P00352 3/20 0.46
GAA P10253 1/20 0.46
HPGD P15428 1/20 0.46
OPRK1 P41145 1/20 0.46
MAPT P10636 2/20 0.40
CXCR2 P25025 2/20 0.40
LMNA P02545 3/20 0.39
ALOX15 P16050 1/20 0.39
TSHR P16473 1/20 0.39
CASP1 P29466 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
CNR1 P21554 1/20 0.39
CNR2 P34972 1/20 0.38
MEN1 O00255 1/20 0.38
NPC1 O15118 1/20 0.38
KMT2A Q03164 1/20 0.38
USP2 O75604 1/20 0.38
USP8 P40818 1/20 0.38
ALOX5 P09917 1/20 0.38

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
SCHEMBL485454 0.93 RAB9A (0.46) RAB9AALDH1A1GAAHPGDOPRK1
SCHEMBL3930652 0.74 CXCR2 (0.55) RAB9ACXCR2LMNAMEN1NPC1
SCHEMBL485013 0.72 CXCR2 (0.51) RAB9AALDH1A1HPGDMAPTCXCR2
SCHEMBL1598437 0.72 CXCR2 (0.45) RAB9ACXCR2LMNATSHRL3MBTL1
SCHEMBL3927704 0.71 CXCR2 (0.54) RAB9AALDH1A1GAAMAPTCXCR2
SCHEMBL484914 0.71 KMT2A (0.51) RAB9AALDH1A1GAAMAPTLMNA
SCHEMBL485110 0.70 CNR2 (0.44) RAB9AHPGDMAPTCXCR2LMNA
SCHEMBL3927105 0.70 CXCR2 (0.55) RAB9ACXCR2LMNAMEN1NPC1
SCHEMBL485270 0.70 CXCR2 (0.46) RAB9AALDH1A1GAAHPGDMAPT
SCHEMBL485642 0.69 CXCR2 (0.55) MAPTCXCR2LMNAMEN1KMT2A

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 1404/4885ALDH1A1 1443/4885GAA 4238/4885
US-20080090854-A1 CXCR2 INHIBITORS CXCR2, CXCR1, CXCR4 RAB9A 1404/4885ALDH1A1 1443/4885GAA 4238/4885

“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.