SCHEMBL17525280

SCHEMBL17525280

COC(=O)C(CC(C)C)NC(=O)OCC1c2ccccc2-c2ccccc21

nearest known ligand 0.72

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 3/20 0.50
MDM4 O15151 2/20 0.50
TP53 P04637 2/20 0.50
CASP3 P42574 2/20 0.50
KMT2A Q03164 1/20 0.50
USP2 O75604 1/20 0.48
EPHX2 P34913 1/20 0.47

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
SCHEMBL9449475 1.00 PTPN1 (0.50) PTPN1MDM4TP53CASP3KMT2A
SCHEMBL29531966 0.95 PTPN1 (0.53) PTPN1MDM4TP53
SCHEMBL30261676 0.95 PTPN1 (0.53) PTPN1MDM4TP53
Hydrochloric Acid SCHEMBL29601405 0.94 PTPN1 (0.53) PTPN1MDM4TP53
SCHEMBL12228627 0.92 PTPN1 (0.49) PTPN1CASP3KMT2AUSP2
Hydrochloric Acid SCHEMBL30233326 0.91 PTPN1 (0.48) PTPN1CASP3KMT2AUSP2
SCHEMBL9449334 0.90 PTPN1 (0.49) PTPN1MDM4TP53CASP3KMT2A
N- (9-Fluorenylmethoxycarbonyl)-L-Leucine SCHEMBL120560 0.90 MDM4 (0.58) PTPN1MDM4TP53CASP3KMT2A
N- (9-Fluorenylmethoxycarbonyl)-L-Leucine SCHEMBL1002861 0.90 MDM4 (0.58) PTPN1MDM4TP53CASP3KMT2A
N- (9-Fluorenylmethoxycarbonyl)-L-Leucine SCHEMBL800078 0.90 MDM4 (0.58) PTPN1MDM4TP53CASP3KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160045609-A1 CONJUGATION OF PHARMACEUTICALLY ACTIVE AGENTS WITH TRANSTHYRETIN LIGANDS THROUGH ADJUSTABLE LINKERS TO INCREASE SERUM HALF-LIFE MAHA THERAPEUTICS, INC. 2016-02-18 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-20160045609-A1 CONJUGATION OF PHARMACEUTICALLY ACTIVE AGENTS WITH TRANSTHYRETIN LIGANDS THROUGH ADJUSTABLE LINKERS TO INCREASE SERUM HALF-LIFE TTR, TTPA, SERPINA6 PTPN1 2264/4885MDM4 3008/4885TP53 3120/4885

“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.