SCHEMBL485444

SCHEMBL485444

COc1ccc(C#Cc2c(C(=O)NC(C(=O)O)C(C)C)ccc3ccccc23)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PYGL P06737 1/20 0.42
CYP2C9 P11712 1/20 0.42
ACACB O00763 2/20 0.41
PTGES O14684 2/20 0.41
PSEN1 P49768 1/20 0.41
PSEN2 P49810 1/20 0.41
APH1B Q8WW43 1/20 0.41
NCSTN Q92542 1/20 0.41
APH1A Q96BI3 1/20 0.41
PSENEN Q9NZ42 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
MEN1 O00255 3/20 0.40
KMT2A Q03164 3/20 0.40
EGLN1 Q9GZT9 2/20 0.40
KDM4E B2RXH2 2/20 0.39
MAPT P10636 2/20 0.39
CSGALNACT1 Q8TDX6 1/20 0.39
DGAT1 O75907 1/20 0.39
ALDH1A1 P00352 1/20 0.39
GLA P06280 1/20 0.39

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
SCHEMBL485442 1.00 PYGL (0.42) PYGLCYP2C9ACACBPTGESPSEN1
SCHEMBL485720 0.88 EGLN1 (0.46) PYGLCYP2C9PTGESNPSR1MEN1
SCHEMBL485718 0.88 EGLN1 (0.46) PYGLCYP2C9PTGESNPSR1MEN1
SCHEMBL12467113 0.81 MMP9 (0.45) PYGLCYP2C9PSEN1PSEN2APH1B
SCHEMBL485335 0.79 CXCR2 (0.58) MEN1KMT2AKDM4EMAPTNPC1
SCHEMBL485937 0.79 BBOX1 (0.43) PYGLACACBEGLN1ALDH1A1
Bicarbonate SCHEMBL486058 0.77 MAPT (0.52) NPSR1MEN1KMT2AKDM4EMAPT
SCHEMBL485776 0.77 BBOX1 (0.44) PYGLACACBPTGESNPSR1MEN1
SCHEMBL485777 0.77 BBOX1 (0.44) PYGLACACBPTGESNPSR1MEN1
SCHEMBL485505 0.76 RAB9A (0.52) NPSR1MEN1KMT2AKDM4EMAPT

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 5 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

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 PYGL 2695/4885CYP2C9 951/4885ACACB 4148/4885
US-20080090854-A1 CXCR2 INHIBITORS CXCR2, CXCR1, CXCR4 PYGL 2695/4885CYP2C9 951/4885ACACB 4148/4885

“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.