SCHEMBL9944729

SCHEMBL9944729

CC(C)(C(=O)NCc1ccc(Cl)c(N=CC=S)c1Cl)C(F)(F)F

nearest known ligand 0.35

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PTGES O14684 13/20 0.35
EPHX2 P34913 6/20 0.35
NR1H4 Q96RI1 5/20 0.35
PDK1 Q15118 1/20 0.32
PDK2 Q15119 1/20 0.32
PDK3 Q15120 1/20 0.32
PDK4 Q16654 1/20 0.32

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
SCHEMBL9944728 0.91 EPHX2 (0.36) PTGESEPHX2NR1H4
SCHEMBL11992699 0.89 PTGES (0.36) PTGESEPHX2NR1H4
SCHEMBL9899593 0.82 PTGES (0.36) PTGESEPHX2NR1H4
SCHEMBL11992710 0.81 IDO1 (0.38) PTGES
SCHEMBL11992717 0.80 PTGES (0.35) PTGESEPHX2NR1H4
SCHEMBL9898570 0.76 EPHX2 (0.39) PTGESEPHX2NR1H4PDK1PDK2
SCHEMBL1671550 0.75 EPHX2 (0.39) PTGESEPHX2NR1H4PDK1PDK2
SCHEMBL9898822 0.72 EPHX2 (0.37) PTGESEPHX2NR1H4
SCHEMBL10170044 0.71 EPHX2 (0.41) PTGESEPHX2NR1H4
SCHEMBL11992702 0.70 RIPK1 (0.38) PTGESEPHX2NR1H4

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8674113-B2 Compounds BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-03-18 US disclosed
US-20120149676-A1 NOVEL COMPOUNDS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-06-14 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-20120149676-A1 NOVEL COMPOUNDS PTGS1, PTGER1, PTGES PTGES 3/4885EPHX2 193/4885NR1H4 443/4885

“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.