SCHEMBL8906641

SCHEMBL8906641

COC(=O)N[C@H](Cc1ccccc1)C(=O)C(C)(C)C

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTSS P25774 4/20 0.52
CTSK P43235 3/20 0.52
CTSL P07711 2/20 0.52
CTSB P07858 2/20 0.52
ACE P12821 1/20 0.50
ALDH1A1 P00352 3/20 0.49
ALOX15 P16050 1/20 0.49
ATM Q13315 1/20 0.49
FPR2 P25090 1/20 0.48
THRB P10828 1/20 0.48
CYP2C9 P11712 1/20 0.48
CYP2C19 P33261 1/20 0.48
HSD17B10 Q99714 1/20 0.48
POLB P06746 1/20 0.47
PTPRB P23467 1/20 0.46
KLK5 Q9Y337 1/20 0.46
MEN1 O00255 1/20 0.46
LMNA P02545 1/20 0.46
KMT2A Q03164 1/20 0.46
AKT1 P31749 1/20 0.46

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
SCHEMBL8906760 1.00 CTSS (0.52) CTSSCTSKCTSLCTSBACE
SCHEMBL8909419 0.89 NPC1 (0.57) ACE
SCHEMBL20328576 0.88 CTSS (0.67) CTSSCTSKCTSLCTSBACE
SCHEMBL20976432 0.88 CTSS (0.67) CTSSCTSKCTSLCTSBACE
SCHEMBL8915361 0.87 CTSS (0.49) CTSSCTSKCTSLCTSBACE
SCHEMBL12401175 0.87 CTSS (0.50) CTSSCTSKCTSLCTSBACE
SCHEMBL13995540 0.87 CTSL (0.63) CTSSCTSKCTSLCTSBALDH1A1
SCHEMBL22427640 0.86 L3MBTL1 (0.50) CTSSCTSKCTSLCTSBACE
SCHEMBL8907714 0.85 ACACB (0.43) CTSSCTSKCTSLCTSBACE
SCHEMBL1627622 0.84 CTSS (0.58) CTSSCTSKALDH1A1LMNANPSR1

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 7 patents. 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-8637561-B2 Linked diimidazole derivatives ENANTA PHARMACEUTICALS, INC. (US) 2014-01-28 US disclosed
US-20130295049-A1 LINKED DIBENZIMIDAZOLE ANTIVIRALS ENANTA PHARMACEUTICALS, INC (US) 2013-11-07 US disclosed
US-8188132-B2 Linked dibenzimidazole derivatives ENANTA PHARMACEUTICALS, INC. (US) 2012-05-29 US disclosed
US-20100226883-A1 LINKED DIIMIDAZOLE DERIVATIVES 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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (4 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-20100226883-A1 LINKED DIIMIDAZOLE DERIVATIVES EIF2AK2, ZC3HAV1, HAVCR2 CTSS 2582/4885CTSK 2105/4885CTSL 1871/4885
US-20100221214-A1 LINKED DIBENZIMIDAZOLE DERIVATIVES EIF2AK2, NSUN2, ZC3HAV1 CTSS 2638/4885CTSK 2467/4885CTSL 1911/4885
US-20130295049-A1 LINKED DIBENZIMIDAZOLE ANTIVIRALS EIF2AK2, ZC3HAV1, NSUN2 CTSS 2269/4885CTSK 2268/4885CTSL 1618/4885
US-10752611-B2 Benzimidazole derivatives EIF2AK2, ZC3HAV1, ZC3HAV1L CTSS 853/4885CTSK 1129/4885CTSL 739/4885

“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.