SCHEMBL10129167

SCHEMBL10129167

COC(=O)[C@H](CCNC(=O)OC(C)(C)C)NC(=O)N(C)C(C)C

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
GAA P10253 1/20 0.43
TDP1 Q9NUW8 5/20 0.38
CA12 O43570 3/20 0.38
CA14 Q9ULX7 1/20 0.38
ATM Q13315 2/20 0.38
MALT1 Q9UDY8 1/20 0.37
MAPT P10636 1/20 0.37
POLB P06746 2/20 0.36
NPSR1 Q6W5P4 2/20 0.36
CA1 P00915 3/20 0.36
CA2 P00918 3/20 0.36
CA9 Q16790 2/20 0.36
PSEN1 P49768 2/20 0.36
PSEN2 P49810 2/20 0.36
APH1B Q8WW43 2/20 0.36
NCSTN Q92542 2/20 0.36
APH1A Q96BI3 2/20 0.36
PSENEN Q9NZ42 2/20 0.36

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
SCHEMBL10129164 0.88 MEN1 (0.50) MEN1KMT2AGAATDP1MALT1
SCHEMBL10164404 0.79 MEN1 (0.47) MEN1KMT2AGAATDP1CA12
SCHEMBL20366319 0.79 MEN1 (0.47) MEN1KMT2AGAATDP1CA12
SCHEMBL12417725 0.78 MEN1 (0.43) MEN1KMT2AGAATDP1CA12
SCHEMBL20366152 0.78 KLK5 (0.45) MEN1KMT2AGAATDP1CA12
SCHEMBL15159978 0.78 MEN1 (0.51) MEN1KMT2AGAATDP1CA12
SCHEMBL20556183 0.78 MEN1 (0.51) MEN1KMT2AGAATDP1CA12
SCHEMBL11919227 0.76 MEN1 (0.50) MEN1KMT2AGAATDP1CA12
SCHEMBL20366165 0.76 MEN1 (0.42) MEN1KMT2AGAATDP1CA12
SCHEMBL30679020 0.75 MEN1 (0.43) MEN1KMT2AGAATDP1CA12

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-20130274254-A1 INHIBITORS OF CYTOCHROME P450 (CYP3A4) GILEAD SCIENCES, INC. (US) 2013-10-17 US disclosed
WO-2012088178-A1 INHIBITORS OF CYTOCHROME P450 (CYP3A4) GILEAD SCIENCES, INC. (US) 2012-06-28 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-20130274254-A1 INHIBITORS OF CYTOCHROME P450 (CYP3A4) CYP3A43, CYP3A7, CYP3A4 MEN1 4753/4885KMT2A 4099/4885GAA 230/4885

“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.