SCHEMBL869693

SCHEMBL869693

COC(=O)[C@@H](C(=O)O)c1ccccc1N

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.47
KMT2A Q03164 3/20 0.46
HSD17B10 Q99714 2/20 0.44
CFTR P13569 1/20 0.44
MMP8 P22894 1/20 0.41
SRC P12931 1/20 0.39
KDM4E B2RXH2 2/20 0.37
TSHR P16473 1/20 0.37
GLS O94925 1/20 0.36
GAA P10253 1/20 0.36
PKM P14618 1/20 0.36
HPGD P15428 1/20 0.36
HDAC3 O15379 1/20 0.36
HDAC4 P56524 1/20 0.36
HDAC1 Q13547 1/20 0.36
HDAC7 Q8WUI4 1/20 0.36
HDAC2 Q92769 1/20 0.36
HDAC10 Q969S8 1/20 0.36
HDAC11 Q96DB2 1/20 0.36
HDAC8 Q9BY41 1/20 0.36

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
SCHEMBL28996258 0.91 ALDH1A1 (0.56) ALDH1A1KMT2AHSD17B10CFTRMMP8
SCHEMBL2208871 0.83 SRC (0.50) ALDH1A1SRCKDM4ETSHRGAA
SCHEMBL5982890 0.82 LMNA (0.40) ALDH1A1KMT2AHSD17B10CFTRSRC
SCHEMBL28116516 0.80 SRC (0.43) ALDH1A1KMT2AHSD17B10CFTRSRC
SCHEMBL29117055 0.79 ALDH1A1 (0.52) ALDH1A1KMT2AHSD17B10CFTRKDM4E
SCHEMBL2635055 0.79 ALDH1A1 (0.47) ALDH1A1KMT2AHSD17B10CFTRKDM4E
SCHEMBL8568940 0.79 ALDH1A1 (0.47) ALDH1A1KMT2AHSD17B10CFTRKDM4E
SCHEMBL11330367 0.79 ALDH1A1 (0.47) ALDH1A1KMT2AHSD17B10CFTRKDM4E
SCHEMBL9951888 0.78 TSHR (0.49) ALDH1A1KMT2AHSD17B10CFTRSRC
SCHEMBL28261816 0.77 ALDH1A1 (0.46) ALDH1A1KMT2AHSD17B10CFTRKDM4E

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-10017499-B2 Benzimidazole derivatives ENANTA PHARMACEUTICALS, INC. (US) 2018-07-10 US disclosed
US-20170114046-A1 NOVEL BENZIMIDAZOLE DERIVATIVES ENANTA PHARM INC (US) 2017-04-27 US disclosed
CN-102427731-B Hepatitis c virus inhibitors ENANTA PHARM INC 2015-05-13 CN disclosed
US-8673954-B2 Benzimidazole derivatives ENANTA PHARMACEUTICALS, INC. (US) 2014-03-18 US disclosed
CN-102427731-A Hepatitis c virus inhibitors ENANTA PHARM INC 2012-04-25 CN disclosed
US-20120076756-A1 NOVEL BENZIMIDAZOLE DERIVATIVES ENANTA PHARMACEUTICALS, INC. 2012-03-29 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-20170114046-A1 NOVEL BENZIMIDAZOLE DERIVATIVES EIF2AK2, ZC3HAV1, HAVCR2 ALDH1A1 201/4885KMT2A 1865/4885HSD17B10 906/4885
US-20120076756-A1 NOVEL BENZIMIDAZOLE DERIVATIVES EIF2AK2, ZC3HAV1, HAVCR2 ALDH1A1 201/4885KMT2A 1865/4885HSD17B10 906/4885
US-10017499-B2 Benzimidazole derivatives EIF2AK2, ZC3HAV1, ZC3HAV1L ALDH1A1 132/4885KMT2A 1492/4885HSD17B10 1025/4885

“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.