SCHEMBL6424388

SCHEMBL6424388

Cc1c([C@H](CC2CCC2)C(=O)O)c2cc(O)ccc2n1C(=O)c1ccc(Cl)c(Cl)c1

nearest known ligand 0.45

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 7/20 0.45
PTGS1 P23219 4/20 0.45
TSHR P16473 1/20 0.36
HPGD P15428 1/20 0.34
AKR1C3 P42330 1/20 0.34
AKR1C2 P52895 1/20 0.34
PGR P06401 1/20 0.34
PPARG P37231 1/20 0.34
LIPG Q9Y5X9 1/20 0.34
SLC6A4 P31645 1/20 0.33
SLC6A3 Q01959 1/20 0.33

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
SCHEMBL6425442 0.98 PTGS2 (0.45) PTGS2PTGS1TSHRHPGDAKR1C3
SCHEMBL6454261 0.92 PTGS2 (0.43) PTGS2PTGS1AKR1C3AKR1C2PPARG
SCHEMBL6425517 0.91 PTGS2 (0.56) PTGS2PTGS1AKR1C3AKR1C2PPARG
SCHEMBL6423270 0.91 PTGS2 (0.56) PTGS2PTGS1AKR1C3AKR1C2PPARG
SCHEMBL6458627 0.90 PTGS2 (0.43) PTGS2PTGS1AKR1C3AKR1C2PPARG
SCHEMBL6423294 0.89 PTGS2 (0.56) PTGS2PTGS1AKR1C3AKR1C2PPARG
SCHEMBL6425844 0.89 PTGS2 (0.56) PTGS2PTGS1AKR1C3AKR1C2PPARG
SCHEMBL6423999 0.88 PTGS2 (0.44) PTGS2PTGS1PPARG
SCHEMBL6426832 0.87 PTGS2 (0.43) PTGS2PTGS1AKR1C3AKR1C2PPARG
SCHEMBL6424780 0.87 TSHR (0.34) PTGS2PTGS1TSHRHPGDAKR1C3

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 7/4885TSHR 3525/4885

“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.