SCHEMBL6426838

SCHEMBL6426838

Cc1c([C@](C)(C(=O)O)C2CCC2)c2cc(O)ccc2n1C(=O)c1ccc(F)c(F)c1

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PTGS1 P23219 2/20 0.42
PTGS2 P35354 2/20 0.42
AKR1C3 P42330 4/20 0.35
AKR1C2 P52895 4/20 0.35
HSD11B1 P28845 1/20 0.35
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
GAA P10253 1/20 0.34
MGLL Q99685 4/20 0.33
PPARG P37231 1/20 0.33
CHRM5 P08912 1/20 0.33
S1PR3 Q99500 1/20 0.33
PDE2A O00408 1/20 0.33
RORC P51449 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
SCHEMBL6424954 0.98 PTGS2 (0.42) PTGS1PTGS2AKR1C3AKR1C2HSD11B1
SCHEMBL6454267 0.92 PTGS2 (0.42) PTGS1PTGS2AKR1C3AKR1C2GAA
SCHEMBL6458635 0.90 PTGS2 (0.42) PTGS1PTGS2AKR1C3AKR1C2GAA
SCHEMBL6425919 0.89 HSD11B1 (0.35) AKR1C3AKR1C2HSD11B1MEN1KMT2A
SCHEMBL6423271 0.89 PTGS1 (0.55) PTGS1PTGS2AKR1C3AKR1C2MEN1
SCHEMBL6425520 0.89 PTGS1 (0.55) PTGS1PTGS2AKR1C3AKR1C2MEN1
SCHEMBL6426672 0.88 AKR1C3 (0.42) PTGS1PTGS2AKR1C3AKR1C2HSD11B1
SCHEMBL6423997 0.87 HSD11B1 (0.35) AKR1C3AKR1C2HSD11B1MEN1KMT2A
SCHEMBL6424391 0.87 PTGS2 (0.44) PTGS1PTGS2AKR1C3AKR1C2HSD11B1
SCHEMBL6423296 0.87 PTGS1 (0.55) PTGS1PTGS2AKR1C3AKR1C2MEN1

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 PTGS1 7/4885PTGS2 4/4885AKR1C3 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.