SCHEMBL4882674

SCHEMBL4882674

Cc1cc2c(cc1C(=O)O)nc(CCl)n2C(=O)OC(C)(C)C

nearest known ligand 0.40

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
FAAH O00519 1/20 0.40
IDH1 O75874 3/20 0.38
PTGER4 P35408 2/20 0.36
BRD4 O60885 4/20 0.34
NR1H2 P55055 7/20 0.33
NR1H3 Q13133 1/20 0.33
AGTR1 P30556 1/20 0.32
AGTR2 P50052 1/20 0.32
TBXA2R P21731 1/20 0.32

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
SCHEMBL6581767 0.80 BRD4 (0.43) FAAHBRD4NR1H2NR1H3
SCHEMBL18764834 0.80 FAAH (0.42) FAAHBRD4NR1H2NR1H3TBXA2R
SCHEMBL6221657 0.77 TBXA2R (0.47) FAAHBRD4NR1H2TBXA2R
SCHEMBL30828711 0.77 BRD4 (0.44) FAAHBRD4TBXA2R
SCHEMBL6224033 0.77 BRD4 (0.44) FAAHBRD4TBXA2R
SCHEMBL2795120 0.77 BRD4 (0.39) FAAHBRD4NR1H2NR1H3
SCHEMBL4385302 0.76 TBXA2R (0.46) FAAHBRD4AGTR1AGTR2TBXA2R
SCHEMBL18765270 0.75 BRD4 (0.46) FAAHBRD4NR1H2TBXA2R
SCHEMBL368032 0.75 CYP1A2 (0.45) FAAHNR1H2NR1H3TBXA2R
SCHEMBL28721362 0.72 NR1H2 (0.44) FAAHNR1H2NR1H3

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080045537-A1 Chemical Compounds SMITHKLINE BEECHAM CORPORATION 2008-02-21 US disclosed
EP-1789045-A2 CHEMICAL COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 2007-05-30 EP disclosed
WO-2006023400-A2 CHEMICAL COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 2006-03-02 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 (1 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-20080045537-A1 Chemical Compounds CCR5, CXCR4, CXCR3 FAAH 3111/4885IDH1 3104/4885PTGER4 2231/4885

“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.