SCHEMBL192729

SCHEMBL192729

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

nearest known ligand 0.40

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CA2 P00918 4/20 0.40
CA1 P00915 3/20 0.40
MME P08473 4/20 0.38
TP53 P04637 1/20 0.38
CTSL P07711 1/20 0.35
CTSS P25774 1/20 0.35
PDCD1LG2 Q9BQ51 1/20 0.35
CD274 Q9NZQ7 1/20 0.35
ALDH1A1 P00352 1/20 0.34
SLC1A3 P43003 1/20 0.33
ECE1 P42892 1/20 0.33
TSHR P16473 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
SCHEMBL16499390 1.00 CA2 (0.40) CA2CA1MMETP53CTSL
SCHEMBL3449046 1.00 CA2 (0.40) CA2CA1MMETP53CTSL
SCHEMBL14842881 1.00 CA2 (0.40) CA2CA1MMETP53CTSL
SCHEMBL193831 1.00 CA2 (0.40) CA2CA1MMETP53CTSL
SCHEMBL193562 0.84 SMN1; SMN2 (0.44) CA2CA1CTSSALDH1A1
SCHEMBL191467 0.84 SMN1; SMN2 (0.44) CA2CA1CTSSALDH1A1
SCHEMBL4994 0.84 SMN1; SMN2 (0.44) CA2CA1CTSSALDH1A1
SCHEMBL23277649 0.82 CA14 (0.42) CTSLCTSSTSHR
SCHEMBL8910274 0.82 CTSL (0.32) CTSLCTSS
SCHEMBL16255645 0.82 SMN1; SMN2 (0.33) CTSLCTSSALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10752611-B2 Benzimidazole derivatives ENANTA PHARMACEUTICALS, INC. (US) 2020-08-25 US disclosed
US-10017499-B2 Benzimidazole derivatives ENANTA PHARMACEUTICALS, INC. (US) 2018-07-10 US disclosed
US-20170355689-A1 HEPATITIS C VIRUS INHIBITOR BRISTOL MYERS SQUIBB CO (US) 2017-12-14 US disclosed
US-20170320833-A1 HEPATITIS C VIRUS INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2017-11-09 US disclosed
EP-2601188-B1 HEPATITIS C VIRUS INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2017-10-18 EP disclosed
US-9776981-B2 Hepatitis C virus inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2017-10-03 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
EP-2328865-B1 HEPATITIS C VIRUS INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2017-05-31 EP disclosed
US-20170114046-A1 NOVEL BENZIMIDAZOLE DERIVATIVES ENANTA PHARM INC (US) 2017-04-27 US disclosed
WO-2008144380-A1 HEPATITIS C VIRUS INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2008-11-27 WO disclosed
US-20080050336-A1 Hepatitis C Virus Inhibitors BRISTOL-MYERS SQUIBB COMPANY 2008-02-28 US disclosed
US-20080050336-A1 Hepatitis C Virus Inhibitors BRISTOL-MYERS SQUIBB COMPANY 2008-02-28 US disclosed
WO-2008021936-A2 HEPATITIS C VIRUS INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2008-02-21 WO disclosed
WO-2008021928-A2 HEPATITIS C VIRUS INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2008-02-21 WO disclosed
WO-2008021927-A2 HEPATITIS C VIRUS INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2008-02-21 WO disclosed
US-20080044379-A1 Hepatitis C Virus Inhibitors BRISTOL-MYERS SQUIBB COMPANY 2008-02-21 US disclosed
US-20080044379-A1 Hepatitis C Virus Inhibitors BRISTOL-MYERS SQUIBB COMPANY 2008-02-21 US disclosed
US-20080044380-A1 Hepatitis C Virus Inhibitors BRISTOL-MYERS SQUIBB COMPANY 2008-02-21 US disclosed
US-20080044380-A1 Hepatitis C Virus Inhibitors BRISTOL-MYERS SQUIBB COMPANY 2008-02-21 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 (8 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 CA2 4003/4885CA1 4824/4885MME 2377/4885
US-20170355689-A1 HEPATITIS C VIRUS INHIBITOR HAVCR2, LIPC, PYGL CA2 4624/4885CA1 4459/4885MME 1155/4885
US-20080050336-A1 Hepatitis C Virus Inhibitors HAVCR2, PYGL, HCCS CA2 4556/4885CA1 4434/4885MME 1382/4885
US-10017499-B2 Benzimidazole derivatives EIF2AK2, ZC3HAV1, ZC3HAV1L CA2 3508/4885CA1 4723/4885MME 2140/4885
US-20080044379-A1 Hepatitis C Virus Inhibitors HAVCR2, PYGL, HCCS CA2 4556/4885CA1 4434/4885MME 1382/4885
US-20170320833-A1 HEPATITIS C VIRUS INHIBITORS HAVCR2, PYGL, HCCS CA2 4556/4885CA1 4434/4885MME 1382/4885
US-20080044380-A1 Hepatitis C Virus Inhibitors HAVCR2, PYGL, HCCS CA2 4556/4885CA1 4434/4885MME 1382/4885
US-10752611-B2 Benzimidazole derivatives EIF2AK2, ZC3HAV1, ZC3HAV1L CA2 3508/4885CA1 4723/4885MME 2140/4885

“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.