SCHEMBL20966406

SCHEMBL20966406

NC(=S)[C@@H]1CCCN1CC(=O)OCc1ccccc1

nearest known ligand 0.59

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MMEL1 Q495T6 1/20 0.53
CTRB1 P17538 1/20 0.48
SPHK1 Q9NYA1 1/20 0.48
FKBP1A P62942 4/20 0.47
CYP2C19 P33261 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
ACE P12821 1/20 0.46
ADORA3 P0DMS8 1/20 0.44
ADORA2A P29274 1/20 0.44
ADORA2B P29275 1/20 0.44
ADORA1 P30542 1/20 0.44
PREP P48147 2/20 0.43
KDM1A O60341 1/20 0.43
RCOR1 Q9UKL0 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43

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
SCHEMBL20966402 0.90 SPHK1 (0.58) MMEL1CTRB1SPHK1FKBP1ACYP2C19
SCHEMBL14836855 0.87 MMEL1 (0.52) MMEL1CTRB1SPHK1FKBP1ACYP2C19
SCHEMBL2707345 0.85 MMEL1 (0.58) MMEL1CTRB1FKBP1AACEPREP
SCHEMBL934366 0.85 MMEL1 (0.58) MMEL1CTRB1FKBP1AACEPREP
SCHEMBL24705627 0.85 SPHK1 (0.50) MMEL1CTRB1SPHK1FKBP1ACYP2C19
SCHEMBL18626013 0.85 SPHK1 (0.50) MMEL1CTRB1SPHK1FKBP1ACYP2C19
SCHEMBL27422467 0.84 MMEL1 (0.47) MMEL1CTRB1SPHK1FKBP1ACYP2C19
SCHEMBL18734805 0.84 SMN1; SMN2 (0.51) MMEL1FKBP1ASMN1; SMN2ACE
SCHEMBL19880370 0.84 SMN1; SMN2 (0.51) MMEL1FKBP1ASMN1; SMN2ACE
SCHEMBL19880369 0.84 SMN1; SMN2 (0.51) MMEL1FKBP1ASMN1; SMN2ACE

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220356182-A1 INHIBITORS OF HEPATITIS C VIRUS REPLICATION MERCK SHARP & DOHME CORP. (US) 2022-11-10 US disclosed
US-11053243-B2 Inhibitors of hepatitis C virus replication MERCK SHARP & DOHME CORP. (US) 2021-07-06 US disclosed
US-20200262836-A1 INHIBITORS OF HEPATITIS C VIRUS REPLICATION MERCK SHARP & DOHME CORP. (US) 2020-08-20 US disclosed
US-20190127365-A1 INHIBITORS OF HEPATITIS C VIRUS REPLICATION MERCK SHARP & DOHME CORP. (US) 2019-05-02 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-20200262836-A1 INHIBITORS OF HEPATITIS C VIRUS REPLICATION HAVCR2, HCCS, EIF2AK2 MMEL1 816/4885CTRB1 285/4885SPHK1 3620/4885
US-11053243-B2 Inhibitors of hepatitis C virus replication HAVCR2, HCCS, EIF2AK2 MMEL1 816/4885CTRB1 285/4885SPHK1 3620/4885
US-20190127365-A1 INHIBITORS OF HEPATITIS C VIRUS REPLICATION HAVCR2, HCCS, EIF2AK2 MMEL1 816/4885CTRB1 285/4885SPHK1 3620/4885
US-20220356182-A1 INHIBITORS OF HEPATITIS C VIRUS REPLICATION HAVCR2, HCCS, EIF2AK2 MMEL1 816/4885CTRB1 285/4885SPHK1 3620/4885

“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.