SCHEMBL12829313

SCHEMBL12829313

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

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP3A4 P08684 3/20 0.48
▸ SLC7A5 Q01650 1/20 0.48
▸ ITGB2 P05107 3/20 0.47
▸ ICAM1 P05362 3/20 0.47
▸ ITGAL P20701 3/20 0.47
▸ QPCT Q16769 1/20 0.47
▸ QPCTL Q9NXS2 1/20 0.47
▸ ALDH1A1 P00352 5/20 0.45
▸ HRH4 Q9H3N8 3/20 0.45
▸ HRH3 Q9Y5N1 3/20 0.45
▸ NFKB1 P19838 2/20 0.45
▸ CYP1A2 P05177 2/20 0.45
▸ MEN1 O00255 1/20 0.45
▸ GLA P06280 1/20 0.45
▸ KMT2A Q03164 1/20 0.45
▸ THPO P40225 1/20 0.45
▸ SLC6A5 Q9Y345 1/20 0.45
▸ LMNA P02545 1/20 0.44
▸ APEX1 P27695 1/20 0.44
▸ BLM P54132 1/20 0.44

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
SCHEMBL10092612 0.88 CYP3A4 (0.51) CYP3A4SLC7A5ITGB2ICAM1ITGAL
SCHEMBL28035475 0.87 CYP3A4 (0.56) CYP3A4SLC7A5ITGB2ICAM1ITGAL
SCHEMBL27414269 0.86 CYP3A4 (0.46) CYP3A4SLC7A5ITGB2ICAM1ITGAL
SCHEMBL10795770 0.83 ITGB2 (0.46) CYP3A4SLC7A5ITGB2ICAM1ITGAL
SCHEMBL1641647 0.83 CYP3A4 (0.51) CYP3A4SLC7A5ITGB2ICAM1ITGAL
SCHEMBL15119370 0.83 CYP3A4 (0.51) CYP3A4SLC7A5ITGB2ICAM1ITGAL
SCHEMBL13979576 0.83 CYP3A4 (0.51) CYP3A4SLC7A5ITGB2ICAM1ITGAL
SCHEMBL15080457 0.82 REN (0.54) CYP3A4SLC7A5ITGB2ICAM1ITGAL
SCHEMBL17697368 0.82 CYP3A4 (0.54) CYP3A4SLC7A5ITGB2ICAM1ITGAL
SCHEMBL18804718 0.82 ITGB2 (0.44) CYP3A4SLC7A5ITGB2ICAM1ITGAL

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-20110070196-A1 HEPATITIS C VIRUS INHIBITORS ENANTA PHARMACEUTICALS, INC. 2011-03-24 — — US disclosed
US-20110070197-A1 HEPATITIS C VIRUS INHIBITORS ENANTA PHARMACEUTICALS, INC. 2011-03-24 — — 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-20110070196-A1 HEPATITIS C VIRUS INHIBITORS HAVCR2, EIF2AK2, SLC10A1 CYP3A4 241/4885SLC7A5 1290/4885ITGB2 4280/4885
US-20110070197-A1 HEPATITIS C VIRUS INHIBITORS HAVCR2, EIF2AK2, SLC10A1 CYP3A4 241/4885SLC7A5 1290/4885ITGB2 4280/4885

“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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