SCHEMBL12467339

SCHEMBL12467339

C[C@](I)(NC(=O)c1cc(Cl)c2ccccc2c1OCc1nc2ccccc2s1)C(=O)O

nearest known ligand 0.45

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.45
NPC1 O15118 2/20 0.45
EPHX2 P34913 14/20 0.44
ALOX5 P09917 13/20 0.44
HTT P42858 1/20 0.42
RAB9A P51151 1/20 0.42
CYP1A2 P05177 1/20 0.41
CYP2C19 P33261 1/20 0.41
ALOX5AP P20292 1/20 0.41

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
SCHEMBL485193 0.91 KDM4E (0.52) MAPTNPC1EPHX2ALOX5HTT
SCHEMBL485123 0.89 MAPT (0.45) MAPTNPC1EPHX2ALOX5HTT
SCHEMBL485979 0.89 MAPT (0.45) MAPTNPC1EPHX2ALOX5HTT
SCHEMBL485124 0.89 MAPT (0.45) MAPTNPC1EPHX2ALOX5HTT
SCHEMBL485414 0.88 MAPT (0.45) MAPTNPC1EPHX2ALOX5HTT
SCHEMBL10289380 0.81 NPC1 (0.45) MAPTNPC1EPHX2ALOX5RAB9A
SCHEMBL485408 0.80 NPC1 (0.46) MAPTNPC1EPHX2ALOX5HTT
SCHEMBL485578 0.79 CXCR2 (0.40) MAPTNPC1EPHX2ALOX5ALOX5AP
SCHEMBL485800 0.79 KMT2A (0.49) MAPTNPC1EPHX2ALOX5RAB9A
SCHEMBL485257 0.78 EPHX2 (0.45) MAPTNPC1EPHX2ALOX5RAB9A

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-8283479-B2 CXCR2 inhibitors SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2012-10-09 US 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 MAPT 4665/4885NPC1 1259/4885EPHX2 227/4885
US-20080090854-A1 CXCR2 INHIBITORS CXCR2, CXCR1, CXCR4 MAPT 4665/4885NPC1 1259/4885EPHX2 227/4885

“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.