SCHEMBL16296168

SCHEMBL16296168

CC(C)(C)OC(=O)NC(C)(C)C(=O)O.[CsH]

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KDM4C Q9H3R0 1/20 0.39
MEN1 O00255 1/20 0.39
GAA P10253 1/20 0.39
KMT2A Q03164 1/20 0.39
CTSK P43235 6/20 0.38
CTSS P25774 3/20 0.38
TDP1 Q9NUW8 1/20 0.37
DGAT1 O75907 1/20 0.37
CA1 P00915 2/20 0.36
CA2 P00918 2/20 0.36
CA7 P43166 2/20 0.36
BTK Q06187 1/20 0.36
CTSL P07711 1/20 0.36
CTSB P07858 1/20 0.36
CA12 O43570 2/20 0.34
CA14 Q9ULX7 2/20 0.34
APLNR P35414 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
SCHEMBL76832 0.98 KDM4C (0.41) KDM4CMEN1GAAKMT2ACTSK
SCHEMBL21834933 0.95 KDM4C (0.39) KDM4CMEN1GAAKMT2ACTSK
SCHEMBL2542864 0.90 KDM4C (0.36) KDM4CMEN1GAAKMT2ACTSK
SCHEMBL2537978 0.90 KDM4C (0.36) KDM4CMEN1GAAKMT2ACTSK
SCHEMBL20295137 0.82 GAA (0.39) MEN1GAAKMT2ACTSKCTSS
SCHEMBL14276786 0.81 TDP1 (0.39) MEN1GAAKMT2ACTSKTDP1
SCHEMBL12845831 0.80 MEN1 (0.38) MEN1GAAKMT2ACTSKCTSS
SCHEMBL25229366 0.79 MEN1 (0.44) MEN1GAAKMT2ACTSKCTSS
SCHEMBL2512445 0.79 MEN1 (0.40) MEN1GAAKMT2ACTSKCTSS
SCHEMBL753141 0.78 KDM4C (0.43) KDM4CGAADGAT1

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-3008062-B1 PRODRUG DERIVATIVES OF SUBSTITUTED TRIAZOLOPYRIDINES Bayer Pharma AG (DE) 2017-04-05 EP disclosed
US-9586958-B2 Prodrug derivatives of substituted triazolopyridines BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2017-03-07 US disclosed
US-20160207915-A1 PRODRUG DERIVATIVES OF SUBSTITUTED TRIAZOLOPYRIDINES BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2016-07-21 US disclosed
EP-3008062-A2 PRODRUG DERIVATIVES OF SUBSTITUTED TRIAZOLOPYRIDINES Bayer Pharma Aktiengesellschaft (DE) 2016-04-20 EP disclosed
CN-105377848-A Prodrug derivatives of substituted triazolopyridines Bayer Pharma AG 2016-03-02 CN disclosed
WO-2014198647-A2 PRODRUG DERIVATIVES OF SUBSTITUTED TRIAZOLOPYRIDINES BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2014-12-18 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-20160207915-A1 PRODRUG DERIVATIVES OF SUBSTITUTED TRIAZOLOPYRIDINES TK1, PNKP, MPST KDM4C 3800/4885MEN1 1388/4885GAA 81/4885

“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.