SCHEMBL749111

SCHEMBL749111

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

nearest known ligand 0.31

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.31
CYP3A4 P08684 1/20 0.31
TSHR P16473 1/20 0.31

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
SCHEMBL731462 1.00 LMNA (0.31) LMNACYP3A4TSHR
SCHEMBL8275192 0.83 LAP3 (0.32)
SCHEMBL732801 0.79
SCHEMBL1166568 0.79
SCHEMBL751702 0.79
SCHEMBL14302406 0.79 GRM4 (0.32) TSHR
SCHEMBL27768736 0.79 GRM4 (0.32) TSHR
SCHEMBL3514429 0.79 GRM4 (0.32) TSHR
SCHEMBL732180 0.76
SCHEMBL751481 0.76

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8377873-B2 HCV NS3 protease inhibitors MERCK SHARP & DOHME CORP. (US) 2013-02-19 US disclosed
US-8138164-B2 HCV NS3 protease inhibitors MERCK SHARP & DOHME CORP. (US) 2012-03-20 US disclosed
EP-1778702-B1 ANTIVIRAL COMPOUNDS GILEAD SCIENCES INC (US) 2011-07-13 EP disclosed
EP-2316839-A1 Antiviral compounds GILEAD SCIENCES, INC. (US) 2011-05-04 EP 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
US-7642339-B2 Hepatitis C; 1-benzyloxycarbonylamino-2-vinyl-cyclopropyl)-phenyl-phosphinic acid ethyl ester GILEAD SCIENCES, INC. (US) 2010-01-05 US disclosed
US-7642339-B2 Hepatitis C; 1-benzyloxycarbonylamino-2-vinyl-cyclopropyl)-phenyl-phosphinic acid ethyl ester GILEAD SCIENCES, INC. (US) 2010-01-05 US disclosed
US-20080311077-A1 Antiviral Compounds GILEAD SCIENCES, INC. 2008-12-18 US disclosed
US-20080311077-A1 Antiviral Compounds GILEAD SCIENCES, INC. 2008-12-18 US disclosed
WO-2006020276-A2 ANTIVIRAL COMPOUNDS GILEAD SCIENCES, INC. (US) 2006-02-23 WO 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 (3 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 LMNA 3730/4885CYP3A4 154/4885TSHR 4610/4885
US-20080311077-A1 Antiviral Compounds EIF2AK2, MAVS, ITPA LMNA 2219/4885CYP3A4 2852/4885TSHR 4801/4885
US-20100298210-A1 HCV NS3 Protease Inhibitors HAVCR2, GTF3C3, CTSC LMNA 3773/4885CYP3A4 144/4885TSHR 4619/4885

“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.