SCHEMBL1936992

SCHEMBL1936992

Nc1ccc(F)cc1OC1CCN(C(=O)O)CC1

nearest known ligand 0.45

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
SCD O00767 9/20 0.41
KEAP1 Q14145 1/20 0.40
SCD5 Q86SK9 1/20 0.39
EPHX2 P34913 1/20 0.39
PTGDR Q13258 1/20 0.38

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
SCHEMBL9903734 0.86 FFAR4 (0.46) SCDSCD5EPHX2
SCHEMBL2410139 0.85 RBP4 (0.39) KEAP1
SCHEMBL2410136 0.85 RBP4 (0.39) KEAP1
SCHEMBL4682397 0.84 EPHX2 (0.46) SCDEPHX2
SCHEMBL3976480 0.84 SCD (0.56) SCDSCD5
SCHEMBL9902292 0.84 SCD (0.55) SCDEPHX2
SCHEMBL6113438 0.83 GPR119 (0.55)
SCHEMBL2406476 0.83 OPRK1 (0.43)
SCHEMBL9902820 0.82 EPHX2 (0.50) SCDEPHX2
SCHEMBL23365170 0.81 HRH1 (0.48) SCDEPHX2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2331551-B1 THIENOPYRIMIDINES FOR PHARMACEUTICAL COMPOSITIONS EVOTEC INTERNAT GMBH (DE) 2016-06-29 EP disclosed
US-8486953-B2 Thienopyrimidines for pharmaceutical compositions BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-07-16 US disclosed
US-20120128686-A1 THIENOPYRIMIDINES FOR PHARMACEUTICAL COMPOSITIONS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-05-24 US disclosed
CN-102186857-A Thienopyrimidines for pharmaceutical compositions BOEHRINGER INGELHEIM INT 2011-09-14 CN disclosed
EP-2331551-A1 THIENOPYRIMIDINES FOR PHARMACEUTICAL COMPOSITIONS Boehringer Ingelheim International GmbH (DE) 2011-06-15 EP disclosed
WO-2010023181-A1 THIENOPYRIMIDINES FOR PHARMACEUTICAL COMPOSITIONS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-03-04 WO 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-20120128686-A1 THIENOPYRIMIDINES FOR PHARMACEUTICAL COMPOSITIONS DTYMK, CMPK1, PDXK SCD 3916/4885KEAP1 1656/4885SCD5 2429/4885

“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.