SCHEMBL6423872

SCHEMBL6423872

CCC(C)[C@H](C(=O)O)c1c(C)n(C(=O)c2ccc(F)c(F)c2)c2cc(F)c(O)cc12

nearest known ligand 0.35

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 6/20 0.35
AKR1C3 P42330 4/20 0.34
AKR1C2 P52895 4/20 0.34
ABCB1 P08183 1/20 0.33
PTGS1 P23219 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
SRC P12931 1/20 0.32
PPARG P37231 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
SCHEMBL6426422 1.00 PTGS2 (0.35) PTGS2AKR1C3AKR1C2ABCB1PTGS1
SCHEMBL6426424 1.00 PTGS2 (0.35) PTGS2AKR1C3AKR1C2ABCB1PTGS1
SCHEMBL6423874 1.00 PTGS2 (0.35) PTGS2AKR1C3AKR1C2ABCB1PTGS1
SCHEMBL6428681 1.00 PTGS2 (0.35) PTGS2AKR1C3AKR1C2ABCB1PTGS1
SCHEMBL6426654 0.92 PTGS2 (0.35) PTGS2AKR1C3AKR1C2ABCB1PTGS1
SCHEMBL6428591 0.92 PTGS2 (0.35) PTGS2AKR1C3AKR1C2ABCB1PTGS1
SCHEMBL6426656 0.92 PTGS2 (0.35) PTGS2AKR1C3AKR1C2ABCB1PTGS1
SCHEMBL6424204 0.92 PTGS2 (0.35) PTGS2AKR1C3AKR1C2ABCB1PTGS1
SCHEMBL6428590 0.92 PTGS2 (0.35) PTGS2AKR1C3AKR1C2ABCB1PTGS1
SCHEMBL6423495 0.91 AKR1C3 (0.44) PTGS2AKR1C3AKR1C2ABCB1PTGS1

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 4/4885AKR1C3 577/4885AKR1C2 563/4885

“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.