SCHEMBL10129164

SCHEMBL10129164

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

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.50
GAA P10253 1/20 0.50
KMT2A Q03164 1/20 0.50
TDP1 Q9NUW8 1/20 0.39
FOLH1 Q04609 1/20 0.39
CTSK P43235 7/20 0.38
CTSS P25774 6/20 0.38
CTSL P07711 1/20 0.38
CTSB P07858 1/20 0.38
CKS1B P61024 1/20 0.38
SKP1 P63208 1/20 0.38
SKP2 Q13309 1/20 0.38
MALT1 Q9UDY8 1/20 0.38
ALDH1A1 P00352 1/20 0.36
TSHR P16473 1/20 0.36
CAPN1 P07384 1/20 0.36
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35
CA7 P43166 1/20 0.35
MAOA P21397 1/20 0.35

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
SCHEMBL10129167 0.88 MEN1 (0.43) MEN1GAAKMT2ATDP1CKS1B
SCHEMBL1003435 0.83 MEN1 (0.61) MEN1GAAKMT2ATDP1CTSK
SCHEMBL18281226 0.83 MEN1 (0.61) MEN1GAAKMT2ATDP1CTSK
SCHEMBL2850443 0.83 MEN1 (0.61) MEN1GAAKMT2ATDP1CTSK
SCHEMBL20209500 0.82 MEN1 (0.59) MEN1GAAKMT2ATDP1CTSK
SCHEMBL10935584 0.80 MEN1 (0.58) MEN1GAAKMT2ATDP1FOLH1
SCHEMBL16945135 0.80 MEN1 (0.58) MEN1GAAKMT2ATDP1FOLH1
SCHEMBL10164405 0.78 MEN1 (0.55) MEN1GAAKMT2ATDP1FOLH1
SCHEMBL21518411 0.77 MEN1 (0.54) MEN1GAAKMT2ACTSKCTSS
SCHEMBL3183889 0.77 MEN1 (0.54) MEN1GAAKMT2ACTSKCTSS

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 4753/4885GAA 230/4885KMT2A 4099/4885

“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.