SCHEMBL28313

SCHEMBL28313

COC(=O)c1cc(F)c(F)cc1CC#N

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 8/20 0.39
ALDH1A1 P00352 5/20 0.39
HSD17B10 Q99714 2/20 0.39
DPP4 P27487 2/20 0.39
SLC6A4 P31645 1/20 0.36
SLC6A3 Q01959 1/20 0.36
HPGD P15428 4/20 0.36
GAA P10253 4/20 0.36
MAPT P10636 3/20 0.36
RXFP1 Q9HBX9 1/20 0.36
CA12 O43570 2/20 0.34
CA1 P00915 2/20 0.34
CA2 P00918 2/20 0.34
CA7 P43166 2/20 0.34
CA9 Q16790 2/20 0.34
CA14 Q9ULX7 2/20 0.34
POLB P06746 2/20 0.34
ATM Q13315 1/20 0.34
PDK2 Q15119 1/20 0.34
PDK4 Q16654 1/20 0.34

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
SCHEMBL30935197 0.88 SOS1 (0.38) KDM4EALDH1A1HSD17B10SLC6A4SLC6A3
SCHEMBL29041193 0.86 CFTR (0.41) KDM4EALDH1A1HSD17B10MAPTRXFP1
SCHEMBL27974 0.78 DPP4 (0.41) KDM4EALDH1A1HSD17B10DPP4SLC6A4
SCHEMBL7881526 0.77 PDGFRB (0.48) KDM4EALDH1A1HSD17B10DPP4HPGD
SCHEMBL20511627 0.76 CA12 (0.47) KDM4EALDH1A1HSD17B10SLC6A4SLC6A3
SCHEMBL23045056 0.76 CA12 (0.56) KDM4EALDH1A1HSD17B10HPGDGAA
SCHEMBL21678830 0.76 KDM4E (0.37) KDM4EALDH1A1HSD17B10HPGDGAA
SCHEMBL22401528 0.76 KDM4E (0.40) KDM4EALDH1A1HSD17B10SLC6A4SLC6A3
SCHEMBL31351787 0.76 KDM4E (0.37) KDM4EALDH1A1HSD17B10HPGDGAA
SCHEMBL30864888 0.76 KDM4E (0.40) KDM4EALDH1A1HSD17B10SLC6A4SLC6A3

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 24 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10336717-B2 Inhibitors of beta-secretase VITAE PHARMACEUTICALS, LLC (US) 2019-07-02 US disclosed
US-10336717-B2 Inhibitors of beta-secretase VITAE PHARMACEUTICALS, LLC (US) 2019-07-02 US disclosed
US-20160272600-A1 INHIBITORS OF BETA-SECRETASE VITAE PHARMACEUTICALS, LLC 2016-09-22 US disclosed
US-20160272600-A1 INHIBITORS OF BETA-SECRETASE VITAE PHARMACEUTICALS, LLC 2016-09-22 US disclosed
US-20160272600-A1 INHIBITORS OF BETA-SECRETASE VITAE PHARMACEUTICALS, LLC 2016-09-22 US disclosed
EP-2406240-B1 INHIBITORS OF BETA-SECRETASE VITAE PHARMACEUTICALS INC (US) 2015-12-23 EP disclosed
EP-2406240-B1 INHIBITORS OF BETA-SECRETASE VITAE PHARMACEUTICALS INC (US) 2015-12-23 EP disclosed
US-9212153-B2 Inhibitors of beta-secretase VITAE PHARMACEUTICALS, INC. (US) 2015-12-15 US disclosed
US-9212153-B2 Inhibitors of beta-secretase VITAE PHARMACEUTICALS, INC. (US) 2015-12-15 US disclosed
CN-102348698-B Inhibitors of beta-secretase VITAE PHARMACEUTICALS INC 2015-06-03 CN disclosed
US-20140200223-A1 INHIBITORS OF BETA-SECRETASE VITAE PHARMACEUTICALS, INC. 2014-07-17 US disclosed
US-8633212-B2 Inhibitors of beta-secretase VITAE PHARMACEUTICALS, INC. (US) 2014-01-21 US disclosed
US-8633212-B2 Inhibitors of beta-secretase VITAE PHARMACEUTICALS, INC. (US) 2014-01-21 US disclosed
US-8633212-B2 Inhibitors of beta-secretase VITAE PHARMACEUTICALS, INC. (US) 2014-01-21 US disclosed
EP-2406240-A2 INHIBITORS OF BETA-SECRETASE Vitae Pharmaceuticals, Inc. (US) 2012-01-18 EP disclosed
US-20110071126-A1 INHIBITORS OF BETA-SECRETASE VITAE PHARMACEUTICALS, INC. 2011-03-24 US disclosed
US-20110071126-A1 INHIBITORS OF BETA-SECRETASE VITAE PHARMACEUTICALS, INC. 2011-03-24 US disclosed
US-20110071126-A1 INHIBITORS OF BETA-SECRETASE VITAE PHARMACEUTICALS, INC. 2011-03-24 US disclosed
WO-2010105179-A2 INHIBITORS OF BETA-SECRETASE VITAE PHARMACEUTICALS, INC. (US) 2010-09-16 WO disclosed
WO-2010105179-A2 INHIBITORS OF BETA-SECRETASE VITAE PHARMACEUTICALS, INC. (US) 2010-09-16 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 (4 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-20140200223-A1 INHIBITORS OF BETA-SECRETASE BACE1, BACE2, PSEN1 KDM4E 2509/4885ALDH1A1 2962/4885HSD17B10 834/4885
US-10336717-B2 Inhibitors of beta-secretase BACE1, BACE2, PSEN1 KDM4E 2509/4885ALDH1A1 2962/4885HSD17B10 834/4885
US-20160272600-A1 INHIBITORS OF BETA-SECRETASE BACE1, BACE2, PSEN1 KDM4E 2509/4885ALDH1A1 2962/4885HSD17B10 834/4885
US-20110071126-A1 INHIBITORS OF BETA-SECRETASE BACE1, BACE2, PSEN1 KDM4E 2509/4885ALDH1A1 2962/4885HSD17B10 834/4885

“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.