SCHEMBL6423670

SCHEMBL6423670

Cc1c(C(C(=O)O)C2CCC2)c2cc(O)c(Cl)cc2n1C(=O)c1ccc(OC(F)F)cc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARG P37231 5/20 0.38
PTGS2 P35354 7/20 0.36
ABCB1 P08183 2/20 0.35
PTGS1 P23219 3/20 0.35
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
MAPT P10636 2/20 0.34
RAB9A P51151 2/20 0.34
AKR1C3 P42330 2/20 0.34
AKR1C2 P52895 2/20 0.34
NPC1 O15118 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
KDM4E B2RXH2 1/20 0.34
PTGES O14684 1/20 0.34
ABCC3 O15438 1/20 0.34
ABCC4 O15439 1/20 0.34
ABCB11 O95342 1/20 0.34
MT-CO2 P00403 1/20 0.34
LMNA P02545 1/20 0.34
ALB P02768 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
SCHEMBL6426555 0.98 PTGS2 (0.38) PPARGPTGS2ABCB1PTGS1MEN1
SCHEMBL6422766 0.90 MEN1 (0.35) PPARGPTGS2ABCB1MEN1KMT2A
SCHEMBL6423710 0.90 PTGS2 (0.47) PPARGPTGS2ABCB1PTGS1MEN1
SCHEMBL6423643 0.89 MGLL (0.39) PPARGPTGS2ABCB1PTGS1
SCHEMBL6422650 0.89 MEN1 (0.37) PPARGPTGS2ABCB1MEN1KMT2A
SCHEMBL5553716 0.88 AKR1C3 (0.39) PTGS2PTGS1RAB9AAKR1C3AKR1C2
SCHEMBL6423862 0.88 PTGS2 (0.43) PPARGPTGS2ABCB1PTGS1MEN1
SCHEMBL6424495 0.88 PTGS2 (0.37) PTGS2ABCB1PTGS1MAPTAKR1C3
SCHEMBL6425925 0.88 PTGS2 (0.47) PPARGPTGS2ABCB1PTGS1MEN1
SCHEMBL5559188 0.87 PTGS2 (0.39) PPARGPTGS2ABCB1

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 PPARG 1908/4885PTGS2 4/4885ABCB1 2922/4885

“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.