SCHEMBL6428463

SCHEMBL6428463

CC[C@H](C)C(C(=O)O)c1c(C)n(C(=O)c2ccc(C)cc2)c2cc(Cl)c(OC)cc12

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 9/20 0.55
PTGS1 P23219 3/20 0.55
ABCB1 P08183 2/20 0.42
AKR1C3 P42330 4/20 0.42
AKR1C2 P52895 4/20 0.42
PPARG P37231 3/20 0.39
MAPT P10636 2/20 0.38
KDM4E B2RXH2 1/20 0.38
MEN1 O00255 1/20 0.38
PTGES O14684 1/20 0.38
ABCC3 O15438 1/20 0.38
ABCC4 O15439 1/20 0.38
ABCB11 O95342 1/20 0.38
MT-CO2 P00403 1/20 0.38
LMNA P02545 1/20 0.38
ALB P02768 1/20 0.38
CYP1A2 P05177 1/20 0.38
ALOX5 P09917 1/20 0.38
ADORA3 P0DMS8 1/20 0.38
CXCL8 P10145 1/20 0.38

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
SCHEMBL6423168 1.00 PTGS2 (0.55) PTGS2PTGS1ABCB1AKR1C3AKR1C2
SCHEMBL6426298 1.00 PTGS2 (0.55) PTGS2PTGS1ABCB1AKR1C3AKR1C2
SCHEMBL6423163 1.00 PTGS2 (0.55) PTGS2PTGS1ABCB1AKR1C3AKR1C2
SCHEMBL6428455 1.00 PTGS2 (0.55) PTGS2PTGS1ABCB1AKR1C3AKR1C2
SCHEMBL6424302 0.94 PTGS2 (0.62) PTGS2PTGS1ABCB1AKR1C3AKR1C2
SCHEMBL6423434 0.94 PTGS2 (0.62) PTGS2PTGS1ABCB1AKR1C3AKR1C2
SCHEMBL5559125 0.94 PTGS2 (0.62) PTGS2PTGS1ABCB1AKR1C3AKR1C2
SCHEMBL6423887 0.93 PTGS2 (0.53) PTGS2PTGS1ABCB1AKR1C3AKR1C2
SCHEMBL6423805 0.93 PTGS2 (0.53) PTGS2PTGS1ABCB1AKR1C3AKR1C2
SCHEMBL6427026 0.93 PTGS2 (0.53) PTGS2PTGS1ABCB1AKR1C3AKR1C2

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-20050234244-A1 Synthesis of COX-2 and FAAH inhibitors IRONWOOD PHARMACEUTICALS, INC. 2005-10-20 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-20050234244-A1 Synthesis of COX-2 and FAAH inhibitors FAAH2, FAAH, PTGES2 PTGS2 4/4885PTGS1 7/4885ABCB1 2922/4885

“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.