SCHEMBL5555009

SCHEMBL5555009

Cc1c([C@@H](C)C(=O)O)c2cc(O)ccc2n1C(=O)c1cccc(F)c1

nearest known ligand 0.48

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
AKR1C3 P42330 5/20 0.45
AKR1C2 P52895 5/20 0.45
PTGS2 P35354 3/20 0.43
PTGS1 P23219 1/20 0.43
GAA P10253 1/20 0.39
GFER P55789 1/20 0.39
LMNA P02545 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
HPGD P15428 1/20 0.38
HTT P42858 1/20 0.38
PLA2G7 Q13093 1/20 0.38
PIK3CD O00329 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
SCHEMBL5560396 1.00 AKR1C3 (0.45) AKR1C3AKR1C2PTGS2PTGS1GAA
SCHEMBL5550600 1.00 AKR1C3 (0.45) AKR1C3AKR1C2PTGS2PTGS1GAA
SCHEMBL6423664 0.90 AKR1C3 (0.43) AKR1C3AKR1C2PTGS2PTGS1GAA
SCHEMBL5560751 0.90 AKR1C3 (0.42) AKR1C3AKR1C2PTGS2PTGS1GAA
SCHEMBL5560755 0.90 AKR1C3 (0.42) AKR1C3AKR1C2PTGS2PTGS1GAA
SCHEMBL5559024 0.88 AKR1C3 (0.41) AKR1C3AKR1C2PTGS2PTGS1LMNA
SCHEMBL5799886 0.88 AKR1C3 (0.41) AKR1C3AKR1C2PTGS2PTGS1LMNA
SCHEMBL6426868 0.88 AKR1C3 (0.43) AKR1C3AKR1C2PTGS2PTGS1LMNA
SCHEMBL2005310 0.87 PTGS2 (0.50) AKR1C3AKR1C2PTGS2PTGS1
SCHEMBL5797827 0.87 LMNA (0.47) AKR1C3AKR1C2PTGS2PTGS1GAA

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
EP-1643961-A4 COX-2 AND FAAH INHIBITORS MICROBIA INC (US) 2007-09-12 EP disclosed
WO-2006050120-A2 SYNTHESIS OF COX-2 AND FAAH INHIBITORS MICROBIA, INC. (US) 2006-05-11 WO disclosed
EP-1643961-A2 COX-2 AND FAAH INHIBITORS Microbia, Inc. (US) 2006-04-12 EP disclosed
US-20050032747-A1 COX-2 and FAAH inhibitors POLYMER CONCEPTS TECHNOLOGIES PBY, INC. 2005-02-10 US disclosed
WO-2005002525-A2 COX-2 AND FAAH INHIBITORS MICROBIA, INC. (US) 2005-01-13 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-20050032747-A1 COX-2 and FAAH inhibitors FAAH2, FAAH, PTGS2 AKR1C3 585/4885AKR1C2 342/4885PTGS2 3/4885

“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.