SCHEMBL6170664

SCHEMBL6170664

CC(C)(C)OC(=O)n1ccc2ccc(NC(=O)c3cc(N(S(C)(=O)=O)S(C)(=O)=O)ccc3NC(=O)c3ccc(C(C)(C)C)cc3)cc21

nearest known ligand 0.43

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
NR1H4 Q96RI1 14/20 0.43
EPHX2 P34913 2/20 0.43
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
ALDH1A1 P00352 1/20 0.41
MAPK1 P28482 1/20 0.41
HTT P42858 1/20 0.41
RAB9A P51151 1/20 0.41
PPARG P37231 5/20 0.40
PPARA Q07869 4/20 0.40
F10 P00742 3/20 0.40
TRPV1 Q8NER1 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
SCHEMBL6169297 0.94 NR1H4 (0.43) NR1H4EPHX2MEN1KMT2AALDH1A1
SCHEMBL6173478 0.88 F10 (0.47) NR1H4EPHX2PPARGPPARAF10
SCHEMBL7089461 0.87 NR1H4 (0.42) NR1H4EPHX2MEN1KMT2AALDH1A1
SCHEMBL6170072 0.85 NR1H4 (0.47) NR1H4EPHX2MEN1KMT2APPARG
SCHEMBL6173466 0.84 NR1H4 (0.58) NR1H4EPHX2PPARGPPARA
SCHEMBL6171161 0.83 NR1H4 (0.45) NR1H4EPHX2MEN1KMT2APPARG
SCHEMBL6170547 0.82 MAPT (0.48) NR1H4EPHX2MEN1KMT2AALDH1A1
SCHEMBL6168239 0.80 NR1H4 (0.47) NR1H4EPHX2MEN1KMT2APPARG
SCHEMBL7372132 0.79 NR1H4 (0.43) NR1H4MEN1KMT2AALDH1A1MAPK1
SCHEMBL7083889 0.78 NR1H4 (0.51) NR1H4EPHX2PPARGPPARA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1019045-B1 ANTITHROMBOTIC AGENTS LILLY CO ELI (US) 2005-06-08 EP disclosed
US-20030078431-A1 Antithrombotic agents BEIGHT DOUGLAS WADE (US) 2003-04-24 US disclosed
US-6500851-B2 ANTICOAGULANT IN MAMMLS ELI LILLY AND COMPANY 2002-12-31 US disclosed
US-20020173518-A1 Antithrombotic agents BEIGHT DOUGLAS WADE (US) 2002-11-21 US disclosed
US-6372759-B1 BLOOD COAGULATION FACTOR XA FOR MAMMALS ELI LILLY AND COMPANY 2002-04-16 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 (2 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-20020173518-A1 Antithrombotic agents SERPINC1, TFPI, F11 NR1H4 1884/4885EPHX2 445/4885MEN1 1304/4885
US-20030078431-A1 Antithrombotic agents SERPINC1, TFPI, F11 NR1H4 1884/4885EPHX2 445/4885MEN1 1304/4885

“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.