SCHEMBL6425904

SCHEMBL6425904

Cc1c(C(C(=O)O)C2CCCC2)c2cc(O)ccc2n1C(=O)c1ccc(Cl)c(Cl)c1

nearest known ligand 0.45

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 5/20 0.45
PTGS1 P23219 2/20 0.45
HPGD P15428 1/20 0.39
SLC6A3 Q01959 3/20 0.38
PGR P06401 1/20 0.38
TSHR P16473 2/20 0.37
GAA P10253 1/20 0.36
SIGMAR1 Q99720 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2D6 P10635 1/20 0.35
CYP2C19 P33261 1/20 0.35
SLC6A4 P31645 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
SCHEMBL6423232 0.98 PTGS2 (0.45) PTGS2PTGS1HPGDSLC6A3PGR
SCHEMBL6424950 0.92 PTGS2 (0.43) PTGS2PTGS1GAA
SCHEMBL5560154 0.90 PTGS2 (0.56) PTGS2PTGS1SLC6A3CYP1A2CYP2D6
SCHEMBL6423941 0.90 PTGS2 (0.43) PTGS2PTGS1
SCHEMBL6423884 0.88 PTGS2 (0.56) PTGS2PTGS1SLC6A3CYP1A2CYP2D6
SCHEMBL6427376 0.88 PTGS2 (0.44) PTGS2PTGS1
SCHEMBL6426823 0.86 PTGS2 (0.42) PTGS2PTGS1GAA
SCHEMBL6426812 0.86 PTGS2 (0.44) PTGS2PTGS1HPGDGAA
SCHEMBL6424737 0.86 HSD11B1 (0.37) HPGDSLC6A3PGRTSHRSIGMAR1
SCHEMBL6426610 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.