SCHEMBL6424951

SCHEMBL6424951

Cc1c([C@H](CC2CCCC2)C(=O)O)c2cc(O)ccc2n1C(=O)c1ccc(F)c(F)c1

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 5/20 0.43
PTGS1 P23219 3/20 0.43
AKR1C3 P42330 4/20 0.36
AKR1C2 P52895 4/20 0.36
S1PR3 Q99500 1/20 0.35
GAA P10253 2/20 0.35
USP30 Q70CQ3 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
TAS1R3 Q7RTX0 1/20 0.32
TAS1R1 Q7RTX1 1/20 0.32
TAS1R2 Q8TE23 1/20 0.32
HTT P42858 1/20 0.32
HSD11B1 P28845 1/20 0.32

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
SCHEMBL6426832 0.98 PTGS2 (0.43) PTGS2PTGS1AKR1C3AKR1C2S1PR3
SCHEMBL6458627 0.92 PTGS2 (0.43) PTGS2PTGS1AKR1C3AKR1C2GAA
SCHEMBL6454261 0.90 PTGS2 (0.43) PTGS2PTGS1AKR1C3AKR1C2
SCHEMBL6423996 0.89 USP30 (0.33) PTGS2PTGS1AKR1C3AKR1C2USP30
SCHEMBL6425844 0.89 PTGS2 (0.56) PTGS2PTGS1AKR1C3AKR1C2MEN1
SCHEMBL6423294 0.89 PTGS2 (0.56) PTGS2PTGS1AKR1C3AKR1C2MEN1
SCHEMBL6427491 0.88 AKR1C3 (0.41) PTGS2PTGS1AKR1C3AKR1C2GAA
SCHEMBL6425917 0.87 MEN1 (0.33) PTGS2PTGS1AKR1C3AKR1C2USP30
SCHEMBL6425442 0.87 PTGS2 (0.45) PTGS2PTGS1AKR1C3AKR1C2GAA
SCHEMBL6425517 0.87 PTGS2 (0.56) PTGS2PTGS1AKR1C3AKR1C2MEN1

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 7/4885AKR1C3 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.