SCHEMBL3092910

SCHEMBL3092910

Nc1ccc(SC2CC2)c(C2CCCN2C(=O)O)c1

nearest known ligand 0.37

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PPID Q08752 13/20 0.37
PPIG Q13427 8/20 0.37
PPIB P23284 4/20 0.37
PPIA P62937 1/20 0.36
HSD11B1 P28845 2/20 0.35
RIPK1 Q13546 1/20 0.33
NR1H2 P55055 1/20 0.33
KDM4E B2RXH2 1/20 0.33
MEN1 O00255 1/20 0.33
MAPT P10636 1/20 0.33
THRB P10828 1/20 0.33
ALOX15 P16050 1/20 0.33
GFER P55789 1/20 0.33
YWHAG P61981 1/20 0.33
KMT2A Q03164 1/20 0.33
HSD17B10 Q99714 1/20 0.33

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
SCHEMBL11350163 0.85 NR1H2 (0.46) NR1H2MEN1MAPTKMT2A
SCHEMBL3093123 0.78 F7 (0.39) MAPT
SCHEMBL2911226 0.73 RIPK1 (0.38) PPIDPPIGPPIBPPIAHSD11B1
SCHEMBL2916946 0.72 F7 (0.45)
SCHEMBL6644726 0.70 RIPK1 (0.50) PPIDHSD11B1RIPK1
SCHEMBL8224642 0.70 NR1H2 (0.46) NR1H2MEN1MAPTKMT2A
SCHEMBL17093004 0.70 RIPK1 (0.51) RIPK1
SCHEMBL28946650 0.70 RIPK1 (0.46) PPIDPPIGPPIBHSD11B1RIPK1
SCHEMBL12478830 0.68 PPID (0.48) PPIDHSD11B1RIPK1KDM4EMEN1
SCHEMBL12220055 0.68 NR1H2 (0.43) NR1H2KDM4EMAPTTHRB

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-2061756-B1 2-AMINOCARBONYLPHENYLAMINO-2-PHENILACETAMIDES AS FACTOR VIIA INHIBITORS USEFUL AS ANTICOAGULANTS BRISTOL MYERS SQUIBB CO (US) 2013-09-25 EP disclosed
US-8222453-B2 Benzamide factor VIIa inhibitors useful as anticoagulants BRISTOL-MYERS SQUIBB COMPANY (US) 2012-07-17 US disclosed
US-20100227894-A1 BENZAMIDE FACTOR VIIA INHIBITORS USEFUL AS ANTICOAGULANTS BRISTOL-MYERS SQUIBB COMPANY 2010-09-09 US disclosed
EP-2061756-A2 2-AMINOCARBONYLPHENYLAMINO-2-PHENILACETAMIDES AS FACTOR VIIA INHIBITORS USEFUL AS ANTICOAGULANTS Brystol-Myers Squibb Company (US) 2009-05-27 EP disclosed
WO-2007146719-A2 2-AMINOCARBONYLPHENYLAMINO-2-PHENYLACETAMIDES AS FACTOR VIIA INHIBITORS USEFUL AS ANTICOAGULANTS BRISTOL-MYERS SQUIBB COMPANY (US) 2007-12-21 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-20100227894-A1 BENZAMIDE FACTOR VIIA INHIBITORS USEFUL AS ANTICOAGULANTS F7, F9, F8 PPID 810/4885PPIG 977/4885PPIB 520/4885

“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.