SCHEMBL2195947

SCHEMBL2195947

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

nearest known ligand 0.58

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
TLR2 O60603 3/20 0.43
TLR1 Q15399 1/20 0.43
KMT2A Q03164 1/20 0.41
MDM2 Q00987 1/20 0.40
CASP3 P42574 2/20 0.38
MDM4 O15151 1/20 0.38
TP53 P04637 1/20 0.38
PTPN1 P18031 2/20 0.37
BACE1 P56817 3/20 0.37

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
SCHEMBL2195954 1.00 TLR2 (0.43) TLR2TLR1KMT2AMDM2CASP3
SCHEMBL1411037 0.89 CASP3 (0.46) KMT2ACASP3MDM4TP53PTPN1
SCHEMBL1410927 0.89 CASP3 (0.46) KMT2ACASP3MDM4TP53PTPN1
SCHEMBL2197679 0.88 CASP3 (0.48) KMT2ACASP3MDM4TP53PTPN1
SCHEMBL2197673 0.88 CASP3 (0.48) KMT2ACASP3MDM4TP53PTPN1
SCHEMBL2193899 0.87 CASP3 (0.43) KMT2ACASP3MDM4TP53PTPN1
SCHEMBL2193892 0.87 CASP3 (0.43) KMT2ACASP3MDM4TP53PTPN1
SCHEMBL3669368 0.86 CASP3 (0.45) TLR2CASP3MDM4TP53PTPN1
SCHEMBL2199171 0.86 PTPN1 (0.44) CASP3MDM4TP53PTPN1
SCHEMBL2199165 0.86 PTPN1 (0.44) CASP3MDM4TP53PTPN1

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 7 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
EP-2032566-A4 AZETIDINE DERIVATIVES AS INHIBITORS OF STEAROYL-COENZYME A DELTA-9 DESATURASE MERCK FROSST CANADA LTD (CA) 2009-07-08 EP disclosed
US-20090170828-A1 Azetidine Derivatives as Inhibitors of Stearoyl-Coenzyme a Delta-9 Desaturase MERCK FROSST CANADA LTD. (CA) 2009-07-02 US disclosed
US-20090131390-A1 FK 228 derivates as HDAC inhibitors UNIVERSITY OF SOUTHAMPTON (GB) 2009-05-21 US disclosed
EP-2032566-A1 AZETIDINE DERIVATIVES AS INHIBITORS OF STEAROYL-COENZYME A DELTA-9 DESATURASE Merck Frosst Canada Ltd. (CA) 2009-03-11 EP disclosed
WO-2007143823-A1 AZETIDINE DERIVATIVES AS INHIBITORS OF STEAROYL-COENZYME A DELTA-9 DESATURASE MERCK FROSST CANADA LTD. (CA) 2007-12-21 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 (2 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-20090170828-A1 Azetidine Derivatives as Inhibitors of Stearoyl-Coenzyme a Delta-9 Desaturase SCD, SCD5, FASN TLR2 4458/4885TLR1 2531/4885KMT2A 3557/4885
US-20090131390-A1 FK 228 derivates as HDAC inhibitors HDAC1, HDAC8, HDAC11 TLR2 3920/4885TLR1 3683/4885KMT2A 68/4885

“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.