SCHEMBL6423742

SCHEMBL6423742

Cc1c(CCC(=O)NCCC(=O)O)c2cc(O)c(F)cc2n1C(=O)c1cccc(F)c1

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
AKR1C3 P42330 6/20 0.48
AKR1C2 P52895 6/20 0.48
PTGS1 P23219 2/20 0.39
THRB P10828 1/20 0.38
PLA2G4A P47712 1/20 0.37
PTGS2 P35354 2/20 0.36
LMNA P02545 2/20 0.36
CYP1A2 P05177 1/20 0.36
CYP2D6 P10635 1/20 0.36
CYP2C9 P11712 1/20 0.36
TSHR P16473 1/20 0.36
NFKB1 P19838 1/20 0.36
HIF1A Q16665 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
TP53 P04637 1/20 0.35
TAAR1 Q96RJ0 1/20 0.35
PLA2G2A P14555 1/20 0.35
NPC1 O15118 1/20 0.35

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
SCHEMBL5560180 0.92 AKR1C3 (0.49) AKR1C3AKR1C2PTGS1PTGS2LMNA
SCHEMBL5559181 0.91 AKR1C3 (0.49) AKR1C3AKR1C2PTGS1PLA2G4APTGS2
SCHEMBL5560656 0.89 AKR1C3 (0.50) AKR1C3AKR1C2PTGS1PLA2G4APTGS2
SCHEMBL5559639 0.88 AKR1C3 (0.54) AKR1C3AKR1C2PTGS1PTGS2LMNA
SCHEMBL5814583 0.87 AKR1C3 (0.44) AKR1C3AKR1C2PTGS1THRBPLA2G4A
SCHEMBL5553809 0.87 AKR1C3 (0.50) AKR1C3AKR1C2PTGS1PLA2G4APTGS2
SCHEMBL5555236 0.87 AKR1C3 (0.50) AKR1C3AKR1C2PTGS1PLA2G4APTGS2
SCHEMBL5559738 0.86 AKR1C3 (0.61) AKR1C3AKR1C2PTGS1PTGS2LMNA
SCHEMBL5554588 0.85 AKR1C3 (0.44) AKR1C3AKR1C2PTGS1PTGS2LMNA
SCHEMBL5559502 0.85 AKR1C3 (0.44) AKR1C3AKR1C2PTGS1THRBPTGS2

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
US-20050234244-A1 Synthesis of COX-2 and FAAH inhibitors IRONWOOD PHARMACEUTICALS, INC. 2005-10-20 US 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 (2 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 342/4885PTGS1 6/4885
US-20050234244-A1 Synthesis of COX-2 and FAAH inhibitors FAAH2, FAAH, PTGES2 AKR1C3 577/4885AKR1C2 563/4885PTGS1 7/4885

“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.