SCHEMBL485239

SCHEMBL485239

CC(C)(NC(=O)c1ccc2ccccc2c1O)C(=O)O

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.63
CXCR2 P25025 2/20 0.58
LDHA P00338 1/20 0.57
MEN1 O00255 5/20 0.53
KMT2A Q03164 5/20 0.53
KDM4A O75164 1/20 0.53
CTDSP1 Q9GZU7 1/20 0.53
KDM4C Q9H3R0 1/20 0.53
MAPT P10636 2/20 0.52
LMNA P02545 1/20 0.52
HTT P42858 1/20 0.52
NPC1 O15118 1/20 0.50
RAB9A P51151 1/20 0.50
CYP1A1 P04798 1/20 0.50
CYP1B1 Q16678 1/20 0.50
P2RX1 P51575 1/20 0.50
P2RX3 P56373 1/20 0.50
P2RX4 Q99571 1/20 0.50
P2RX7 Q99572 1/20 0.50
PLG P00747 2/20 0.49

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
SCHEMBL10719823 0.88 LDHA (0.59) KDM4ELDHAMEN1KMT2AKDM4A
SCHEMBL484914 0.86 KMT2A (0.51) KDM4ELDHAMEN1KMT2AKDM4A
SCHEMBL27693288 0.85 CXCR2 (0.54) KDM4ECXCR2LDHAMEN1KMT2A
SCHEMBL27693283 0.83 LDHA (0.51) KDM4ECXCR2LDHAMEN1KMT2A
SCHEMBL10289511 0.83 CXCR2 (0.53) KDM4ECXCR2LDHAALDH1A1
SCHEMBL27693282 0.81 LDHA (0.49) KDM4ECXCR2LDHAMEN1KMT2A
SCHEMBL485138 0.81 CXCR2 (0.63) KDM4ECXCR2MEN1KMT2AMAPT
SCHEMBL27693310 0.80 CYP1A1 (0.55) KDM4ECXCR2LDHAMEN1KMT2A
SCHEMBL3933194 0.79 CXCR2 (0.66) KDM4ECXCR2MEN1KMT2ALMNA
SCHEMBL485119 0.79 CXCR2 (0.61) KDM4ECXCR2MEN1KMT2AMAPT

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 8 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
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 KDM4E 3892/4885CXCR2 1/4885LDHA 2939/4885
US-20080090854-A1 CXCR2 INHIBITORS CXCR2, CXCR1, CXCR4 KDM4E 3892/4885CXCR2 1/4885LDHA 2939/4885

“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.