SCHEMBL2761646

SCHEMBL2761646

CC(C)(C)OC(=O)[C@@H](N)Cc1cnc[nH]1

nearest known ligand 0.61

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ CYP3A4 P08684 1/20 0.61
▸ SLC7A5 Q01650 1/20 0.61
▸ HRH4 Q9H3N8 3/20 0.51
▸ HRH3 Q9Y5N1 3/20 0.51
▸ ALDH1A1 P00352 2/20 0.51
▸ MEN1 O00255 1/20 0.51
▸ GLA P06280 1/20 0.51
▸ KMT2A Q03164 1/20 0.51
▸ CYP1A2 P05177 1/20 0.51
▸ NFKB1 P19838 1/20 0.51
▸ THPO P40225 1/20 0.51
▸ LMNA P02545 1/20 0.50
▸ APEX1 P27695 1/20 0.50
▸ BLM P54132 1/20 0.50

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
SCHEMBL12234260 1.00 CYP3A4 (0.61) CYP3A4SLC7A5HRH4HRH3ALDH1A1
SCHEMBL7267946 0.89 CYP3A4 (0.56) CYP3A4SLC7A5HRH4HRH3ALDH1A1
SCHEMBL10611155 0.86 CYP3A4 (0.58) CYP3A4SLC7A5HRH4HRH3ALDH1A1
SCHEMBL18878733 0.85 CYP3A4 (0.55) CYP3A4SLC7A5HRH4HRH3ALDH1A1
SCHEMBL388562 0.85 CYP3A4 (0.73) CYP3A4SLC7A5HRH4HRH3ALDH1A1
SCHEMBL262239 0.84 CYP3A4 (0.67) CYP3A4SLC7A5HRH4HRH3ALDH1A1
SCHEMBL1581156 0.84 CYP3A4 (0.67) CYP3A4SLC7A5HRH4HRH3ALDH1A1
SCHEMBL3846866 0.84 CYP3A4 (0.67) CYP3A4SLC7A5HRH4HRH3ALDH1A1
SCHEMBL163444 0.83 CYP3A4 (0.71) CYP3A4SLC7A5HRH4HRH3ALDH1A1
SCHEMBL1537285 0.83 CYP3A4 (0.71) CYP3A4SLC7A5HRH4HRH3ALDH1A1

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-9085587-B2 Inhibitors of hepatitis C virus PRESIDIO PHARMACEUTICALS, INC. (US) 2015-07-21 — — US disclosed
US-20120251497-A1 INHIBITORS OF HEPATITIS C VIRUS PRESIDIO PHARMACEUTICALS, INC. 2012-10-04 — — US disclosed
US-20120251497-A1 INHIBITORS OF HEPATITIS C VIRUS PRESIDIO PHARMACEUTICALS, INC. 2012-10-04 — — US disclosed
WO-2010151679-A1 FULLERNENE COMPOSITIONS AND METHODS FOR PHOTOCHEMICAL PURIFICATION WILLIAM MARSH RICE UNIVERSITY (US) 2010-12-29 — — WO disclosed
EP-1135398-A1 CYANOPHOSPHONAMIDES AND METHOD FOR PREPARATION Monsanto Technology LLC (US) 2001-09-26 — — EP disclosed
US-6218563-B1 Cyanophosphonamides and method for preparation MONSANTO COMPANY 2001-04-17 — — US disclosed
WO-2000032611-A1 CYANOPHOSPHONAMIDES AND METHOD FOR PREPARATION MONSANTO TECHNOLOGY LLC (US) 2000-06-08 — — 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 (1 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-20120251497-A1 INHIBITORS OF HEPATITIS C VIRUS HAVCR2, LIPC, HCCS CYP3A4 1503/4885SLC7A5 4392/4885HRH4 4395/4885

“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.

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