SCHEMBL17040271

SCHEMBL17040271

CC(C)C(=O)NCCc1ccc2ccccc2c1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CES2 O00748 1/20 0.61
NQO2 P16083 1/20 0.55
MTNR1A P48039 1/20 0.55
KMT2A Q03164 2/20 0.55
CYP2C19 P33261 2/20 0.55
CYP2D6 P10635 1/20 0.55
CYP2C9 P11712 1/20 0.55
HTT P42858 2/20 0.49
MEN1 O00255 1/20 0.49
CYP1A2 P05177 2/20 0.49
MMP2 P08253 1/20 0.48
MMP9 P14780 1/20 0.48
MMP8 P22894 1/20 0.48
MAPT P10636 2/20 0.48
VNN1 O95497 1/20 0.48
RXFP1 Q9HBX9 1/20 0.48
KDM4E B2RXH2 1/20 0.48
ALDH1A1 P00352 1/20 0.48
POLB P06746 1/20 0.48
GAA P10253 1/20 0.48

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
SCHEMBL17037431 0.88 CES2 (0.58) CES2NQO2MTNR1AHTTCYP1A2
SCHEMBL9492873 0.85 MTNR1A (0.62) CES2NQO2MTNR1ACYP1A2MAPT
SCHEMBL12164123 0.84 ERCC1 (0.62) MMP2MMP9MMP8KDM4ERECQL
SCHEMBL761158 0.83 KDM4E (0.61) CES2MTNR1AHTTCYP1A2MAPT
SCHEMBL4838659 0.81 MDM4 (0.53) CES2HTTCYP1A2MMP2MMP9
SCHEMBL2732841 0.81 CYP1A2 (0.58) CES2HTTCYP1A2MAPTRXFP1
SCHEMBL7866857 0.80 KMT2A (0.81) KMT2ACYP2C19CYP2D6CYP2C9MEN1
SCHEMBL13652571 0.80 MTNR1A (0.62) CES2MTNR1AHTTMAPTRXFP1
SCHEMBL3240006 0.80 CES2 (0.66) CES2MTNR1AKMT2AHTTMEN1
SCHEMBL14974144 0.80 METAP2 (0.52) CES2HTTMMP9MAPTVNN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9586931-B2 Triazolyl derivatives as Syk inhibitors MERCK SHARP & DOHME CORP. (US) 2017-03-07 US disclosed
US-20150239866-A1 TRIAZOLYL DERIVATIVES AS SYK INHIBITORS MERCK CANADA INC. (CA) 2015-08-27 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 (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-20150239866-A1 TRIAZOLYL DERIVATIVES AS SYK INHIBITORS SYK, BTK, TYRO3 CES2 4255/4885NQO2 595/4885MTNR1A 3955/4885

“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.