SCHEMBL1180126

SCHEMBL1180126

COc1ccc(CBr)c(C(C)C(=O)O)c1

nearest known ligand 0.56

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 3/20 0.53
AKR1C3 P42330 3/20 0.53
AKR1C2 P52895 3/20 0.53
PTGS1 P23219 2/20 0.53
CDC42 P60953 1/20 0.53
RAC1 P63000 1/20 0.53
CYP1A2 P05177 1/20 0.53
TSHR P16473 1/20 0.53
SLC22A6 Q4U2R8 1/20 0.53
POLB P06746 1/20 0.44
HSD17B10 Q99714 1/20 0.43

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
SCHEMBL9037513 0.81 PTGS2 (0.55) PTGS2AKR1C3AKR1C2PTGS1CDC42
SCHEMBL28282836 0.79 PTGS2 (0.57) PTGS2AKR1C3AKR1C2PTGS1CDC42
SCHEMBL31512445 0.79 PTGS2 (0.61) PTGS2AKR1C3AKR1C2PTGS1CDC42
SCHEMBL491187 0.79 PTGS2 (0.61) PTGS2AKR1C3AKR1C2PTGS1CDC42
SCHEMBL6372641 0.79 PTGS2 (0.57) PTGS2AKR1C3AKR1C2PTGS1CDC42
SCHEMBL3051005 0.78 PTGS2 (0.40) PTGS2PTGS1TSHR
SCHEMBL30946604 0.76 PTGS2 (0.57) PTGS2AKR1C3AKR1C2PTGS1CDC42
SCHEMBL490635 0.76 PTGS2 (0.57) PTGS2AKR1C3AKR1C2PTGS1CDC42
SCHEMBL7073236 0.76 SMN1; SMN2 (0.54) AKR1C3AKR1C2POLBHSD17B10
SCHEMBL7960349 0.76 PTGS2 (0.57) PTGS2AKR1C3AKR1C2PTGS1CDC42

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110034507-A1 FARNESOID X RECEPTOR AGONISTS SMITHKLINE BEECHAM CORPORATION (US) 2011-02-10 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 (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-20110034507-A1 FARNESOID X RECEPTOR AGONISTS NR1H4, NR1H3, NR1H2 PTGS2 2169/4885AKR1C3 425/4885AKR1C2 536/4885

“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.