SCHEMBL10074276

SCHEMBL10074276

CCCCCCCC(=O)O[C@H](C(=O)NCC(C)(C)CNC(=O)CC(Cc1cc(F)ccc1F)NC(=O)OC(C)(C)C)[C@@H](COCc1ccc(OC)cc1)NC(=O)OC(C)(C)C

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CACNA1B Q00975 1/20 0.35
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
PTPN1 P18031 1/20 0.32
SCN9A Q15858 2/20 0.32
LPAR3 Q9UBY5 1/20 0.31
REN P00797 3/20 0.31
HDAC3 O15379 1/20 0.31
HDAC4 P56524 1/20 0.31
HDAC1 Q13547 1/20 0.31
HDAC7 Q8WUI4 1/20 0.31
HDAC2 Q92769 1/20 0.31
HDAC10 Q969S8 1/20 0.31
HDAC11 Q96DB2 1/20 0.31
HDAC8 Q9BY41 1/20 0.31
HDAC6 Q9UBN7 1/20 0.31
HDAC9 Q9UKV0 1/20 0.31
HDAC5 Q9UQL6 1/20 0.31
CTSS P25774 1/20 0.31

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
SCHEMBL10074123 1.00 CACNA1B (0.35) CACNA1BMEN1KMT2AL3MBTL1PTPN1
SCHEMBL10077512 1.00 CACNA1B (0.35) CACNA1BMEN1KMT2AL3MBTL1PTPN1
SCHEMBL10077515 0.90 CACNA1B (0.36) CACNA1BPTPN1SCN9ARENHDAC3
SCHEMBL10075282 0.90 CACNA1B (0.36) CACNA1BPTPN1SCN9ARENHDAC3
SCHEMBL10077510 0.88 CACNA1B (0.36) CACNA1BPTPN1SCN9ARENHDAC3
SCHEMBL10077061 0.88 CACNA1B (0.36) CACNA1BPTPN1SCN9ARENHDAC3
SCHEMBL10074143 0.88 CACNA1B (0.36) CACNA1BPTPN1SCN9ARENHDAC3
SCHEMBL10075000 0.85 LPAR1 (0.36) LPAR3HDAC1HDAC6CTSSENPP2
SCHEMBL10077372 0.84 ENPP2 (0.38) LPAR3RENHDAC1HDAC6ENPP2
SCHEMBL10074282 0.84 CTSS (0.40) PTPN1SCN9ARENCTSSCTSK

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
EP-2418196-A1 Dual alanyl-aminopeptidase and dipeptidyl-peptidase IV inhibitors IMTM GmbH (DE) 2012-02-15 EP disclosed
US-20120028995-A1 NOVEL COMPOUNDS FOR MEDICAL USE AS PEPTIDASE EFFECTORS IMTM GMBH (DE) 2012-02-02 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-20120028995-A1 NOVEL COMPOUNDS FOR MEDICAL USE AS PEPTIDASE EFFECTORS SERPINB1, CMA1, CPA3 CACNA1B 4839/4885MEN1 3747/4885KMT2A 4300/4885

“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.