SCHEMBL10071176

SCHEMBL10071176

CCNC(=O)NC(C)(C)CC

nearest known ligand 0.60

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 1/20 0.60
KDM4C Q9H3R0 1/20 0.41
HPGD P15428 1/20 0.40
L3MBTL1 Q9Y468 2/20 0.38
KDM4E B2RXH2 1/20 0.38
KMT2A Q03164 3/20 0.37
ALDH1A1 P00352 2/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
MMP1 P03956 1/20 0.34
MMP2 P08253 1/20 0.34
MMP3 P08254 1/20 0.34
MMP9 P14780 1/20 0.34
MMP8 P22894 1/20 0.34
PKM P14618 1/20 0.34
NPSR1 Q6W5P4 1/20 0.33
PARP1 P09874 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
SCHEMBL2820709 0.85 EPHX1 (0.57) EPHX1KDM4CHPGDL3MBTL1KDM4E
SCHEMBL618600 0.84 EPHX1 (0.44) EPHX1KDM4CHPGDKMT2AALDH1A1
SCHEMBL14214964 0.82 EPHX1 (0.49) EPHX1KDM4CHPGDKMT2AALDH1A1
SCHEMBL6262428 0.80 EPHX1 (0.42) EPHX1KDM4CKMT2AALDH1A1SMN1; SMN2
SCHEMBL1908722 0.80 EPHX1 (0.42) EPHX1KDM4CKDM4EKMT2AALDH1A1
SCHEMBL14559564 0.80 EPHX1 (0.42) EPHX1KDM4CKMT2AALDH1A1SMN1; SMN2
SCHEMBL969173 0.80 NPC1 (0.46) EPHX1KDM4CKMT2AALDH1A1SMN1; SMN2
Hydrochloric Acid SCHEMBL15878571 0.79 EPHX1 (0.41) EPHX1KDM4CALDH1A1SMN1; SMN2MMP1
Hydrochloric Acid SCHEMBL4519956 0.79 EPHX1 (0.41) EPHX1KDM4CALDH1A1SMN1; SMN2MMP1
SCHEMBL16890324 0.78 EPHX1 (0.52) EPHX1HPGDL3MBTL1KDM4EKMT2A

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
US-10654977-B2 Underwater self-healable materials, methods of making thereof, and products comprising same CITY UNIVERSITY OF HONG KONG (HK) 2020-05-19 US disclosed
US-9688715-B2 Synthetic pGpG analogs, methods of preparation and methods of use Temple University—Of the Commonwealth System of Higher Education (US) 2017-06-27 US disclosed
US-9242984-B2 Pyrazolyl derivatives as Syk inhibitors MERCK SHARP & DOHME CORP. (US) 2016-01-26 US disclosed
US-20150191461-A1 PYRAZOLYL DERIVATIVES AS SYK INHIBITORS MERCK SHARP & DOHME CORP. (US) 2015-07-09 US disclosed
US-20150175649-A1 SYNTHETIC pGpG ANALOGS, METHODS OF PREPARATION AND METHODS OF USE TEMPLE UNIVERSITY - OF THE COMMONWEALTH SYSTEM OF HIGHER EDUCATION 2015-06-25 US disclosed
US-8137688-B2 Hydroxyphenyl cross-linked macromolecular network and applications thereof THE CLEVELAND CLINIC FOUNDATION (US) 2012-03-20 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 (3 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-20150191461-A1 PYRAZOLYL DERIVATIVES AS SYK INHIBITORS SYK, BTK, LCK EPHX1 1507/4885KDM4C 1807/4885HPGD 1424/4885
US-20150175649-A1 SYNTHETIC pGpG ANALOGS, METHODS OF PREPARATION AND METHODS OF USE MRPL21, PGLS, CFTR EPHX1 1818/4885KDM4C 2702/4885HPGD 341/4885
US-10654977-B2 Underwater self-healable materials, methods of making thereof, and products comprising same SHH, GLI1, AQP1 EPHX1 302/4885KDM4C 1254/4885HPGD 28/4885

“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.