SCHEMBL6423232

SCHEMBL6423232

Cc1c(C(C(=O)O)C2CCC2)c2cc(O)ccc2n1C(=O)c1ccc(Cl)c(Cl)c1

nearest known ligand 0.45

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 5/20 0.45
PTGS1 P23219 2/20 0.45
HPGD P15428 1/20 0.39
PGR P06401 1/20 0.38
TSHR P16473 1/20 0.37
SLC6A3 Q01959 3/20 0.36
SLC6A4 P31645 1/20 0.35
PKM P14618 1/20 0.34
GAA P10253 1/20 0.34
HSD11B1 P28845 1/20 0.34

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
SCHEMBL6425904 0.98 PTGS2 (0.45) PTGS2PTGS1HPGDPGRTSHR
SCHEMBL6423941 0.92 PTGS2 (0.43) PTGS2PTGS1
SCHEMBL6423884 0.90 PTGS2 (0.56) PTGS2PTGS1SLC6A3
SCHEMBL6424950 0.90 PTGS2 (0.43) PTGS2PTGS1GAA
SCHEMBL5560154 0.88 PTGS2 (0.56) PTGS2PTGS1SLC6A3
SCHEMBL6426610 0.88 PTGS2 (0.44) PTGS2PTGS1
SCHEMBL6427348 0.86 PTGS2 (0.42) PTGS2PTGS1PGRGAAHSD11B1
SCHEMBL6425760 0.86 PTGS2 (0.44) PTGS2PTGS1HPGDGAA
SCHEMBL6426808 0.86 HSD11B1 (0.37) HPGDPGRTSHRSLC6A3SLC6A4
SCHEMBL6427376 0.86 PTGS2 (0.44) PTGS2PTGS1

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 7/4885HPGD 15/4885

“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.