SCHEMBL5800701

SCHEMBL5800701

Cc1c(CC(=O)NCC(=O)O)c2cc(O)ccc2n1C(=O)c1cccc(F)c1

nearest known ligand 0.56

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
AKR1C3 P42330 6/20 0.56
AKR1C2 P52895 6/20 0.56
PTGS2 P35354 9/20 0.54
PTGS1 P23219 3/20 0.54
LMNA P02545 1/20 0.47
CYP1A2 P05177 1/20 0.47
CYP2D6 P10635 1/20 0.47
CYP2C9 P11712 1/20 0.47
TSHR P16473 1/20 0.47
NFKB1 P19838 1/20 0.47
HIF1A Q16665 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47
TRPV1 Q8NER1 1/20 0.43
PLA2G2A P14555 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
SCHEMBL6423634 0.91 PTGS2 (0.57) AKR1C3AKR1C2PTGS2PTGS1LMNA
SCHEMBL5560102 0.90 PTGS2 (0.55) AKR1C3AKR1C2PTGS2PTGS1LMNA
SCHEMBL5553724 0.89 AKR1C3 (0.69) AKR1C3AKR1C2PTGS2PTGS1LMNA
SCHEMBL6467082 0.89 PTGS2 (0.62) AKR1C3AKR1C2PTGS2PTGS1TRPV1
SCHEMBL6424062 0.89 PTGS2 (0.64) AKR1C3AKR1C2PTGS2PTGS1TRPV1
SCHEMBL5554455 0.89 PTGS2 (0.58) AKR1C3AKR1C2PTGS2PTGS1TRPV1
SCHEMBL6426630 0.88 AKR1C3 (0.55) AKR1C3AKR1C2PTGS2PTGS1LMNA
SCHEMBL6461554 0.88 AKR1C3 (0.51) AKR1C3AKR1C2PTGS2PTGS1LMNA
SCHEMBL6461262 0.87 PTGS2 (0.60) AKR1C3AKR1C2PTGS2PTGS1LMNA
SCHEMBL5800745 0.87 AKR1C3 (0.53) AKR1C3AKR1C2PTGS2PTGS1LMNA

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-20050032747-A1 COX-2 and FAAH inhibitors POLYMER CONCEPTS TECHNOLOGIES PBY, INC. 2005-02-10 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-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.