SCHEMBL890102

SCHEMBL890102

C=CC[C@H](NC(=O)OC)C(C)=O

nearest known ligand 0.36

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.35
LMNA P02545 1/20 0.35
MMP2 P08253 1/20 0.33
MMP3 P08254 1/20 0.33
MMP7 P09237 1/20 0.33
PLA2G2C Q5R387 1/20 0.31
SMN1; SMN2 Q16637 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
SCHEMBL13160460 1.00 ALDH1A1 (0.35) ALDH1A1LMNAMMP2MMP3MMP7
SCHEMBL868825 0.85 MMP1 (0.36) ALDH1A1LMNAMMP2MMP3MMP7
SCHEMBL12175177 0.85 MMP1 (0.36) ALDH1A1LMNAMMP2MMP3MMP7
SCHEMBL627304 0.85 TGFBR1 (0.39) ALDH1A1LMNASMN1; SMN2
SCHEMBL10538154 0.85 TAS1R3 (0.37) ALDH1A1LMNASMN1; SMN2
SCHEMBL627305 0.85 TGFBR1 (0.39) ALDH1A1LMNASMN1; SMN2
SCHEMBL4038634 0.82 SMN1; SMN2 (0.46) SMN1; SMN2
SCHEMBL4038638 0.82 SMN1; SMN2 (0.46) SMN1; SMN2
SCHEMBL19364721 0.82 ALDH1A1 (0.35) ALDH1A1LMNAPLA2G2CSMN1; SMN2
SCHEMBL19003911 0.82 KDM4E (0.42) ALDH1A1MMP2MMP3MMP7PLA2G2C

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 62 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170320833-A1 HEPATITIS C VIRUS INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2017-11-09 US disclosed
US-9765087-B2 Benzimidazole derivatives ENANTA PHARMACEUTICALS, INC. (US) 2017-09-19 US disclosed
US-9758487-B2 Hepatitis C virus inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2017-09-12 US disclosed
US-9676802-B2 Hepatitis C virus inhibitors ENANTA PHARMACEUTICALS, INC. (US) 2017-06-13 US disclosed
US-20160311778-A1 Hepatitis C Virus Inhibitors BRISTOL-MYERS SQUIBB COMPANY 2016-10-27 US disclosed
US-9421192-B2 Hepatitis C virus inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2016-08-23 US disclosed
US-20160067223-A1 Hepatitis C Virus Inhibitors BRISTOL MYERS SQUIBB CO (US) 2016-03-10 US disclosed
US-9156818-B2 Hepatitis C virus inhibitors ENANTA PHARMACEUTICALS, INC. (US) 2015-10-13 US disclosed
US-9127021-B2 Hepatitis C virus inhibitors ENANTA PHARMACEUTICALS, INC. (US) 2015-09-08 US disclosed
US-9000020-B2 Linked dibenzimidazole antivirals ENANTA PHARMACEUTICALS, INC. (US) 2015-04-07 US disclosed
US-20100266543-A1 LINKED DIBENZIMIDAZOLE ANTIVIRALS ENANTA PHARMACEUTICALS, INC. 2010-10-21 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
US-20100226882-A1 LINKED DIIMIDAZOLE ANTIVIRALS ENANTA PHARMACEUTICALS, INC. 2010-09-09 US disclosed
US-20100226883-A1 LINKED DIIMIDAZOLE DERIVATIVES ENANTA PHARMACEUTICALS, INC. 2010-09-09 US disclosed
US-20100221214-A1 LINKED DIBENZIMIDAZOLE DERIVATIVES ENANTA PHARMACEUTICALS, INC. 2010-09-02 US disclosed
US-20100221216-A1 HEPATITIS C VIRUS INHIBITORS ENANTA PHARMACEUTICALS, INC. 2010-09-02 US disclosed
US-20100221215-A1 LINKED DIBENZIMIDAZOLE DERIVATIVES ENANTA PHARMACEUTICALS, INC. 2010-09-02 US disclosed
WO-2009102325-A1 IMIDAZOLYL BIPHENYL IMIDAZOLES AS HEPATITIS C VIRUS INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2009-08-20 WO disclosed
WO-2008021927-A2 HEPATITIS C VIRUS INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2008-02-21 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 (11 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-20100226882-A1 LINKED DIIMIDAZOLE ANTIVIRALS EIF2AK2, ZC3HAV1, MAVS ALDH1A1 241/4885LMNA 2380/4885MMP2 3697/4885
US-20160067223-A1 Hepatitis C Virus Inhibitors HAVCR2, PYGL, HCCS ALDH1A1 1144/4885LMNA 3159/4885MMP2 1142/4885
US-20100260715-A1 HEPATITIS C VIRUS INHIBITORS HAVCR2, SLC10A1, EIF2AK2 ALDH1A1 365/4885LMNA 2800/4885MMP2 2732/4885
US-20100233122-A1 NOVEL BENZIMIDAZOLE DERIVATIVES EIF2AK2, ZC3HAV1, HAVCR2 ALDH1A1 201/4885LMNA 3064/4885MMP2 3730/4885
US-20100221215-A1 LINKED DIBENZIMIDAZOLE DERIVATIVES EIF2AK2, NSUN2, ZC3HAV1 ALDH1A1 287/4885LMNA 2724/4885MMP2 3981/4885
US-20100226883-A1 LINKED DIIMIDAZOLE DERIVATIVES EIF2AK2, ZC3HAV1, HAVCR2 ALDH1A1 229/4885LMNA 2096/4885MMP2 3053/4885
US-20100221214-A1 LINKED DIBENZIMIDAZOLE DERIVATIVES EIF2AK2, NSUN2, ZC3HAV1 ALDH1A1 287/4885LMNA 2724/4885MMP2 3981/4885
US-20100266543-A1 LINKED DIBENZIMIDAZOLE ANTIVIRALS EIF2AK2, ZC3HAV1, NSUN2 ALDH1A1 250/4885LMNA 3035/4885MMP2 4196/4885
US-20170320833-A1 HEPATITIS C VIRUS INHIBITORS HAVCR2, PYGL, HCCS ALDH1A1 1144/4885LMNA 3159/4885MMP2 1142/4885
US-20100221216-A1 HEPATITIS C VIRUS INHIBITORS HAVCR2, SLC10A1, EIF2AK2 ALDH1A1 365/4885LMNA 2800/4885MMP2 2732/4885
US-20160311778-A1 Hepatitis C Virus Inhibitors HAVCR2, PYGL, HCCS ALDH1A1 1144/4885LMNA 3159/4885MMP2 1142/4885

“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.