SCHEMBL5814525

SCHEMBL5814525

Cc1c(CC(=O)O)c2cc(O)ccc2n1-c1ccc(Cl)cc1

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS1 P23219 5/20 0.71
PTGS2 P35354 4/20 0.71
AKR1C3 P42330 2/20 0.54
AKR1C2 P52895 2/20 0.54
MAPT P10636 6/20 0.52
KDM4E B2RXH2 4/20 0.52
CYP1A2 P05177 3/20 0.52
CYP2C9 P11712 3/20 0.52
MEN1 O00255 3/20 0.52
KMT2A Q03164 3/20 0.52
LMNA P02545 3/20 0.52
PTGDR2 Q9Y5Y4 3/20 0.52
CYP2D6 P10635 2/20 0.52
PMP22 Q01453 2/20 0.52
HIF1A Q16665 2/20 0.52
ABCB1 P08183 2/20 0.52
PTGES O14684 1/20 0.52
ABCC3 O15438 1/20 0.52
ABCC4 O15439 1/20 0.52
ABCB11 O95342 1/20 0.52

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
SCHEMBL23898354 0.84 PTGS1 (0.55) PTGS1PTGS2AKR1C3AKR1C2MAPT
SCHEMBL10943893 0.84 AKR1C3 (0.72) PTGS1PTGS2AKR1C3AKR1C2MAPT
SCHEMBL2996680 0.83 PTGS1 (1.00) PTGS1PTGS2AKR1C3AKR1C2MAPT
SCHEMBL6025562 0.81 MAPT (0.73) PTGS1PTGS2MAPTKDM4ECYP1A2
SCHEMBL23898353 0.80 PTGS1 (0.52) PTGS1PTGS2AKR1C3AKR1C2MAPT
SCHEMBL6025989 0.79 PTGDR2 (0.78) PTGS1PTGS2AKR1C3AKR1C2MAPT
SCHEMBL27773537 0.79 AKR1C3 (0.61) PTGS1PTGS2AKR1C3AKR1C2MAPT
SCHEMBL4064889 0.78 HTT (0.57) PTGS1PTGS2MAPTKDM4ECYP1A2
SCHEMBL5797653 0.78 PTGS1 (0.74) PTGS1PTGS2AKR1C3AKR1C2MAPT
SCHEMBL28785169 0.78 ABCB1 (0.58) PTGS1PTGS2AKR1C3AKR1C2MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2006050120-A2 SYNTHESIS OF COX-2 AND FAAH INHIBITORS MICROBIA, INC. (US) 2006-05-11 WO disclosed
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 PTGS1 7/4885PTGS2 4/4885AKR1C3 577/4885

“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.