SCHEMBL10154897

SCHEMBL10154897

CCOCc1ccc(CC)s1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 2/20 0.51
ALDH1A1 P00352 7/20 0.34
KMT2A Q03164 2/20 0.34
MEN1 O00255 1/20 0.34
POLB P06746 1/20 0.34
HPGD P15428 3/20 0.33
MAPK1 P28482 3/20 0.32
KDM4E B2RXH2 2/20 0.32
MAPT P10636 2/20 0.32
GAA P10253 2/20 0.32
USP2 O75604 1/20 0.32
ALOX15 P16050 1/20 0.32
ALOX12 P18054 1/20 0.32
CASP1 P29466 1/20 0.32
CASP7 P55210 1/20 0.32
HSD17B10 Q99714 1/20 0.32
SMN1; SMN2 Q16637 3/20 0.31
NPC1 O15118 1/20 0.30
TP53 P04637 1/20 0.30
TSHR P16473 1/20 0.30

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
SCHEMBL10599245 0.93 DPP4 (0.56) DPP4ALDH1A1KDM4EUSP2HSD17B10
SCHEMBL18067933 0.83 DPP4 (0.38) DPP4ALDH1A1KMT2APOLBHPGD
SCHEMBL12508125 0.80 DPP4 (0.50) DPP4ALDH1A1KMT2AMEN1HPGD
SCHEMBL45854 0.80
SCHEMBL10151282 0.79 DPP4 (0.36) DPP4ALDH1A1HPGDKDM4EMAPT
SCHEMBL18067911 0.79 DPP4 (0.47) DPP4ALDH1A1KMT2AMEN1POLB
SCHEMBL20391368 0.78 DPP4 (0.49) DPP4
SCHEMBL10211519 0.78 DPP4 (0.49) DPP4ALDH1A1KMT2AMEN1POLB
SCHEMBL12619962 0.76 DPP4 (0.33) DPP4ALDH1A1KMT2AMEN1POLB
SCHEMBL10211540 0.75 DPP4 (0.50) DPP4ALDH1A1KMT2AHPGDMAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9765087-B2 Benzimidazole derivatives ENANTA PHARMACEUTICALS, INC. (US) 2017-09-19 US disclosed
US-20170114046-A1 NOVEL BENZIMIDAZOLE DERIVATIVES ENANTA PHARM INC (US) 2017-04-27 US disclosed
US-20160263083-A1 ANTIBACTERIAL AGENTS: ARYL MYXOPYRONIN DERIVATIVES RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY (US) 2016-09-15 US disclosed
US-20140341851-A1 NOVEL BENZIMIDAZOLE DERIVATIVES ENANTA PHARMACEUTICALS, INC. (US) 2014-11-20 US disclosed
US-20140193363-A1 NOVEL BENZIMIDAZOLE DERIVATIVES ENANTA PHARMACEUTICALS, INC. (US) 2014-07-10 US disclosed
US-8673954-B2 Benzimidazole derivatives ENANTA PHARMACEUTICALS, INC. (US) 2014-03-18 US disclosed
US-8507522-B2 Hepatitis C virus inhibitors ENANTA PHARMACEUTICALS, INC. (US) 2013-08-13 US disclosed
US-8101643-B2 Benzimidazole derivatives ENANTA PHARMACEUTICALS, INC. (US) 2012-01-24 US disclosed
US-20100260715-A1 HEPATITIS C VIRUS INHIBITORS ENANTA PHARMACEUTICALS, INC. 2010-10-14 US disclosed
US-20100233122-A1 NOVEL BENZIMIDAZOLE DERIVATIVES ENANTA PHARMACEUTICALS, INC. 2010-09-16 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 (6 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-20170114046-A1 NOVEL BENZIMIDAZOLE DERIVATIVES EIF2AK2, ZC3HAV1, HAVCR2 DPP4 327/4885ALDH1A1 201/4885KMT2A 1865/4885
US-20100260715-A1 HEPATITIS C VIRUS INHIBITORS HAVCR2, SLC10A1, EIF2AK2 DPP4 606/4885ALDH1A1 365/4885KMT2A 2957/4885
US-20100233122-A1 NOVEL BENZIMIDAZOLE DERIVATIVES EIF2AK2, ZC3HAV1, HAVCR2 DPP4 327/4885ALDH1A1 201/4885KMT2A 1865/4885
US-20160263083-A1 ANTIBACTERIAL AGENTS: ARYL MYXOPYRONIN DERIVATIVES POLRMT, POLR1C, FBL DPP4 2343/4885ALDH1A1 1785/4885KMT2A 3554/4885
US-20140193363-A1 NOVEL BENZIMIDAZOLE DERIVATIVES EIF2AK2, ZC3HAV1, HAVCR2 DPP4 327/4885ALDH1A1 201/4885KMT2A 1865/4885
US-20140341851-A1 NOVEL BENZIMIDAZOLE DERIVATIVES EIF2AK2, ZC3HAV1, HAVCR2 DPP4 327/4885ALDH1A1 201/4885KMT2A 1865/4885

“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.