SCHEMBL2199165

SCHEMBL2199165

COC(=O)CNC(=O)[C@H](NC(=O)[C@@H](CSC(c1ccccc1)(c1ccccc1)c1ccccc1)NC(=O)[C@@H](Cc1ccccc1)NC(=O)OCC1c2ccccc2-c2ccccc21)C(C)C

nearest known ligand 0.51

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 8/20 0.44
CASP3 P42574 2/20 0.42
REN P00797 1/20 0.41
MDM4 O15151 1/20 0.39
TP53 P04637 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
SCHEMBL2199171 1.00 PTPN1 (0.44) PTPN1CASP3RENMDM4TP53
SCHEMBL1411037 0.95 CASP3 (0.46) PTPN1CASP3MDM4TP53
SCHEMBL1410927 0.95 CASP3 (0.46) PTPN1CASP3MDM4TP53
SCHEMBL1409105 0.93 CTSL (0.41) PTPN1CASP3MDM4TP53
SCHEMBL1409102 0.93 CTSL (0.41) PTPN1CASP3MDM4TP53
SCHEMBL2197679 0.93 CASP3 (0.48) PTPN1CASP3MDM4TP53
SCHEMBL2197673 0.93 CASP3 (0.48) PTPN1CASP3MDM4TP53
SCHEMBL2193892 0.92 CASP3 (0.43) PTPN1CASP3MDM4TP53
SCHEMBL2193899 0.92 CASP3 (0.43) PTPN1CASP3MDM4TP53
SCHEMBL12509956 0.90 PTPN1 (0.45) PTPN1MDM4TP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1888097-B1 FK 228 DERIVATES AS HDAC INHIBITORS UNIV SOUTHAMPTON (GB) 2014-03-05 EP disclosed
US-7977304-B2 FK 228 derivates as HDAC inhibitors UNIVERSITY OF SOUTHAMPTON HIGHFIELD (GB) 2011-07-12 US disclosed
US-20090131390-A1 FK 228 derivates as HDAC inhibitors UNIVERSITY OF SOUTHAMPTON (GB) 2009-05-21 US disclosed
EP-1888097-A1 FK 228 DERIVATES AS HDAC INHIBITORS UNIVERSITY OF SOUTHAMPTON (GB) 2008-02-20 EP disclosed
WO-2006129105-A1 FK 228 DERIVATES AS HDAC INHIBITORS UNIVERSITY OF SOUTHAMPTON (GB) 2006-12-07 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-20090131390-A1 FK 228 derivates as HDAC inhibitors HDAC1, HDAC8, HDAC11 PTPN1 4064/4885CASP3 466/4885REN 1285/4885

“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.