Sugi Predict

Sugi Predict / Compounds / SCHEMBL12468141

SCHEMBL12468141

SCHEMBL12468141

C/C=C(/NC(=O)c1cc(F)c2ccccc2c1OCc1ccc(C(F)(F)F)nc1)C(=O)O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CXCR2 P25025 2/20 0.44
▸ KCNH2 Q12809 1/20 0.37
▸ MRGPRX4 Q96LA9 1/20 0.37
▸ DGAT2 Q96PD7 1/20 0.35
▸ KDM4E B2RXH2 1/20 0.35
▸ ALDH1A1 P00352 1/20 0.35
▸ CYP1A2 P05177 1/20 0.35
▸ CYP3A4 P08684 1/20 0.35
▸ CYP2D6 P10635 1/20 0.35
▸ CYP2C9 P11712 1/20 0.35
▸ TSHR P16473 1/20 0.35
▸ CYP2C19 P33261 1/20 0.35
▸ PPARD Q03181 1/20 0.35
▸ ENPP2 Q13822 2/20 0.34
▸ SCN5A Q14524 1/20 0.34
▸ SCN9A Q15858 1/20 0.34
▸ CSF1R P07333 1/20 0.34
▸ KDM1A O60341 1/20 0.34
▸ MAOA P21397 1/20 0.34
▸ MAOB P27338 1/20 0.34

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
SCHEMBL485558 0.84 CXCR2 (0.45) CXCR2KCNH2MRGPRX4DGAT2KDM4E
SCHEMBL12467343 0.82 CXCR2 (0.39) CXCR2MRGPRX4KDM4EALDH1A1PPARD
SCHEMBL485513 0.81 CXCR2 (0.45) CXCR2KCNH2MRGPRX4DGAT2KDM4E
SCHEMBL485383 0.81 CXCR2 (0.45) CXCR2KCNH2MRGPRX4DGAT2KDM4E
SCHEMBL485486 0.81 CXCR2 (0.45) CXCR2KCNH2MRGPRX4DGAT2KDM4E
SCHEMBL485784 0.79 CXCR2 (0.44) CXCR2MRGPRX4ALDH1A1CYP3A4
SCHEMBL485279 0.79 CXCR2 (0.62) CXCR2KCNH2MRGPRX4DGAT2KDM4E
SCHEMBL485365 0.74 CXCR2 (0.44) CXCR2MRGPRX4KDM4EALDH1A1CYP1A2
SCHEMBL485303 0.74 KDM4E (0.52) CXCR2KCNH2MRGPRX4DGAT2KDM4E
SCHEMBL12466947 0.73 CXCR2 (0.51) CXCR2KDM4EPPARD

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 CXCR2 1/4885KCNH2 3233/4885MRGPRX4 28/4885
US-20080090854-A1 CXCR2 INHIBITORS CXCR2, CXCR1, CXCR4 CXCR2 1/4885KCNH2 3233/4885MRGPRX4 28/4885

“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.