SCHEMBL6704499

SCHEMBL6704499

CCCCOc1c(CNC(=O)O)n(CCC(O)NC(C)C)c(=O)c2cc(Cl)c(Cl)cc12

nearest known ligand 0.33

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PTGER4 P35408 2/20 0.33
PTGER2 P43116 1/20 0.33
CNR2 P34972 2/20 0.31
CNR1 P21554 1/20 0.31
PLA2G2A P14555 1/20 0.31
AVPR1B P47901 2/20 0.30
S1PR3 Q99500 1/20 0.30

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
SCHEMBL5238212 0.90 RXFP1 (0.34) PTGER4PTGER2CNR2CNR1S1PR3
SCHEMBL5235009 0.85 DPP4 (0.38) S1PR3
SCHEMBL5238484 0.85 HPGD (0.37) CNR2AVPR1B
SCHEMBL5236293 0.84 ALDH1A1 (0.41) CNR2CNR1PLA2G2A
SCHEMBL6703529 0.82 DPP4 (0.35) S1PR3
SCHEMBL5234470 0.81 THRA (0.36) CNR2CNR1PLA2G2AS1PR3
SCHEMBL5236977 0.80 SMN1; SMN2 (0.34) PTGER4PTGER2CNR2CNR1
SCHEMBL5234726 0.80 THRB (0.34) S1PR3
SCHEMBL5238558 0.79 MAPK8 (0.41) CNR2CNR1PLA2G2AS1PR3
SCHEMBL5234361 0.79 HSD17B10 (0.36) CNR2AVPR1B

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-20040082607-A1 Fused heterocyclic compounds TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2004-04-29 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-20040082607-A1 Fused heterocyclic compounds DPP7, DPP4, METAP1 PTGER4 2453/4885PTGER2 3097/4885CNR2 3755/4885

“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.