SCHEMBL3514429

SCHEMBL3514429

C=C[C@H]1C[C@]1(N)P(=O)(O)O

nearest known ligand 0.32

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
GRM4 Q14833 2/20 0.32
TSHR P16473 1/20 0.32
CYP2C19 P33261 1/20 0.32
GAA P10253 1/20 0.32

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
SCHEMBL27768736 1.00 GRM4 (0.32) GRM4TSHRCYP2C19GAA
SCHEMBL14302406 1.00 GRM4 (0.32) GRM4TSHRCYP2C19GAA
SCHEMBL751481 0.83
SCHEMBL732801 0.83
SCHEMBL732180 0.83
SCHEMBL1166568 0.83
SCHEMBL751702 0.83
SCHEMBL731252 0.79
SCHEMBL749951 0.79
SCHEMBL749111 0.79 LMNA (0.31) TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2076278-B1 Macrocyclic HCV NS3 protease inhibitors MERCK SHARP & DOHME (US) 2015-05-06 EP disclosed
EP-2079479-B1 HCV NS3 PROTEASE INHIBITORS MERCK SHARP & DOHME (US) 2014-11-26 EP disclosed
US-8377873-B2 HCV NS3 protease inhibitors MERCK SHARP & DOHME CORP. (US) 2013-02-19 US disclosed
US-20100317623-A1 HCV NS3 Protease Inhibitors MERCK SHARP & DOHME LLC 2010-12-16 US disclosed
US-20100298210-A1 HCV NS3 Protease Inhibitors MERCK SHARP & DOHME LLC 2010-11-25 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-20100317623-A1 HCV NS3 Protease Inhibitors HAVCR2, GTF3C3, CTSC GRM4 4820/4885TSHR 4610/4885CYP2C19 541/4885
US-20100298210-A1 HCV NS3 Protease Inhibitors HAVCR2, GTF3C3, CTSC GRM4 4815/4885TSHR 4619/4885CYP2C19 461/4885

“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.