SCHEMBL16674459

SCHEMBL16674459

CC(C)(C)OC(=O)C(=O)[C@H](Cc1cnc[nH]1)NO

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ ITGB2 P05107 3/20 0.46
▸ ICAM1 P05362 3/20 0.46
▸ ITGAL P20701 3/20 0.46
▸ CYP3A4 P08684 2/20 0.43
▸ SLC7A5 Q01650 1/20 0.43
▸ ALDH1A1 P00352 3/20 0.42
▸ CYP1A2 P05177 2/20 0.42
▸ CYP2C19 P33261 1/20 0.42
▸ HRH3 Q9Y5N1 6/20 0.41
▸ CPB2 Q96IY4 1/20 0.40
▸ HRH4 Q9H3N8 3/20 0.40
▸ MEN1 O00255 1/20 0.40
▸ GLA P06280 1/20 0.40
▸ KMT2A Q03164 1/20 0.40
▸ NFKB1 P19838 1/20 0.40
▸ THPO P40225 1/20 0.40
▸ LMNA P02545 1/20 0.39
▸ APEX1 P27695 1/20 0.39
▸ BLM P54132 1/20 0.39

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
SCHEMBL10611155 0.82 CYP3A4 (0.58) CYP3A4SLC7A5ALDH1A1CYP1A2HRH3
SCHEMBL18878768 0.77 REN (0.49) ITGB2ICAM1ITGALCYP3A4ALDH1A1
SCHEMBL1133307 0.77 ITGB2 (0.57) ITGB2ICAM1ITGALCYP3A4SLC7A5
SCHEMBL1132649 0.77 ITGB2 (0.57) ITGB2ICAM1ITGALCYP3A4SLC7A5
SCHEMBL14028689 0.77 ITGB2 (0.57) ITGB2ICAM1ITGALCYP3A4SLC7A5
SCHEMBL18814494 0.76 REN (0.49) ITGB2ICAM1ITGALHRH3
SCHEMBL28684251 0.76 ITGB2 (0.56) ITGB2ICAM1ITGALCYP3A4SLC7A5
SCHEMBL27823573 0.76 HRH3 (0.43) ITGB2ICAM1ITGALCYP3A4SLC7A5
SCHEMBL1486141 0.76 REN (0.49) ITGB2ICAM1ITGALHRH3
SCHEMBL29446781 0.74 TDP1 (0.33) ALDH1A1MEN1KMT2ALMNA

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-9480712-B2 Biomedical composition INDUSTRIAL TECHNOLOGY RESEARCH INSTITUTE (TW) 2016-11-01 — — US disclosed
US-20150118322-A1 BIOMEDICAL COMPOSITION INDUSTRIAL TECHNOLOGY RESEARCH INSTITUTE (TW) 2015-04-30 — — 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 (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-20150118322-A1 BIOMEDICAL COMPOSITION CD44, H1-0, H1-3 ITGB2 1136/4885ICAM1 420/4885ITGAL 2940/4885

“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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