SCHEMBL8234259

SCHEMBL8234259

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

nearest known ligand 0.57

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ CYP3A4 P08684 1/20 0.57
▸ SLC7A5 Q01650 1/20 0.57
▸ HRH4 Q9H3N8 2/20 0.51
▸ HRH3 Q9Y5N1 2/20 0.51
▸ MEN1 O00255 1/20 0.51
▸ ALDH1A1 P00352 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
▸ NLN Q9BYT8 1/20 0.51

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
SCHEMBL27449710 0.88 CYP3A4 (0.67) CYP3A4SLC7A5HRH4HRH3MEN1
SCHEMBL15259275 0.88 CYP3A4 (0.58) CYP3A4SLC7A5HRH4HRH3MEN1
SCHEMBL30270561 0.88 CYP3A4 (0.67) CYP3A4SLC7A5HRH4HRH3MEN1
SCHEMBL12343824 0.88 CYP3A4 (0.58) CYP3A4SLC7A5HRH4HRH3MEN1
SCHEMBL18697423 0.86 CYP3A4 (0.56) CYP3A4SLC7A5HRH4HRH3MEN1
SCHEMBL17189358 0.86 CYP3A4 (0.56) CYP3A4SLC7A5HRH4HRH3MEN1
SCHEMBL12982022 0.86 CYP3A4 (0.56) CYP3A4SLC7A5HRH4HRH3MEN1
SCHEMBL12680071 0.84 CYP3A4 (0.69) CYP3A4SLC7A5HRH4HRH3MEN1
SCHEMBL23484143 0.83 CYP3A4 (0.56) CYP3A4SLC7A5HRH4HRH3MEN1
SCHEMBL31066572 0.83 CYP3A4 (0.63) CYP3A4SLC7A5HRH4HRH3MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8268880-B2 Soft protease inhibitors and pro-soft forms thereof TRUSTEES OF TUFTS COLLEGE (US) 2012-09-18 — — US disclosed
US-20090124559-A1 Soft Protease Inhibitors and Pro-Soft Forms Thereof TRUSTEES OF TUFTS COLLEGE OFFICE OF TECHNOLOGY AND INDUSTRY COLLABORATION (US) 2009-05-14 — — US disclosed
WO-2007100374-A9 SOFT PROTEASE INHIBITORS AND PRO-SOFT FORMS THEREOF TUFTS COLLEGE (US) 2007-12-06 — — 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-20090124559-A1 Soft Protease Inhibitors and Pro-Soft Forms Thereof PREP, DPP4, PEPD CYP3A4 2816/4885SLC7A5 1655/4885HRH4 3711/4885

“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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