SCHEMBL18782865

SCHEMBL18782865

CC(C)CNC(=O)OCS

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 1/20 0.48
CYP2C19 P33261 1/20 0.48
MMP1 P03956 2/20 0.47
MMP8 P22894 2/20 0.47
EPHX1 P07099 2/20 0.36
KMT2A Q03164 2/20 0.36
MAPT P10636 2/20 0.36
HSD17B10 Q99714 2/20 0.36
GAA P10253 1/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
ANPEP P15144 1/20 0.35
TAS1R3 Q7RTX0 1/20 0.35
TAS1R1 Q7RTX1 1/20 0.35
TAS1R2 Q8TE23 1/20 0.35
HPGD P15428 3/20 0.35
NPSR1 Q6W5P4 1/20 0.35
ALDH1A1 P00352 2/20 0.34
CHRNB2 P17787 1/20 0.34
CHRNB4 P30926 1/20 0.34
CHRNA3 P32297 1/20 0.34

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
SCHEMBL4611409 0.80 SMN1; SMN2 (0.53) CYP2D6CYP2C19MMP1MMP8EPHX1
SCHEMBL8917423 0.80 CYP2D6 (0.56) CYP2D6CYP2C19MMP1MMP8EPHX1
SCHEMBL19364750 0.79 CYP2D6 (0.45) CYP2D6CYP2C19MMP1MMP8EPHX1
SCHEMBL7360555 0.78 CYP2D6 (0.48) CYP2D6CYP2C19MMP1MMP8EPHX1
Ammonia Solution, Strong SCHEMBL9998724 0.78 SMN1; SMN2 (0.51) CYP2D6CYP2C19MMP1MMP8EPHX1
SCHEMBL12987429 0.78 CYP2D6 (0.48) CYP2D6CYP2C19MMP1MMP8EPHX1
SCHEMBL10578230 0.77 ACHE (0.53) CYP2D6CYP2C19MMP1MMP8MAPT
SCHEMBL16293376 0.77 ACHE (0.48) CYP2D6CYP2C19MMP1MMP8EPHX1
SCHEMBL6755678 0.77
SCHEMBL23125495 0.75 CYP2D6 (0.45) CYP2D6CYP2C19MMP1MMP8EPHX1

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 2 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

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

For each of this compound's patents that has machine-readable text (2 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 CYP2D6 497/4885CYP2C19 180/4885MMP1 4227/4885
US-10017499-B2 Benzimidazole derivatives EIF2AK2, ZC3HAV1, ZC3HAV1L CYP2D6 365/4885CYP2C19 105/4885MMP1 3720/4885

“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.