SCHEMBL1126800

SCHEMBL1126800

N[C@@H](Cc1ccccc1)C(=O)NC1NC(=O)NC1=O

nearest known ligand 0.52

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
RGS12 O14924 1/20 0.48
TSHR P16473 1/20 0.48
ALPI P09923 1/20 0.46
PKM P14618 1/20 0.46
PTGS1 P23219 1/20 0.46
XIAP P98170 1/20 0.46
SLC7A5 Q01650 1/20 0.46
CTSC P53634 1/20 0.45
SLC15A1 P46059 1/20 0.44
OPRM1 P35372 4/20 0.43
OPRD1 P41143 4/20 0.43
OPRK1 P41145 2/20 0.43
LTA4H P09960 1/20 0.43

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
SCHEMBL1126415 0.75 CCKAR (0.60)
D-Phenylalanine SCHEMBL11422526 0.74 SLC7A5 (0.58) ALPIPKMPTGS1XIAPSLC7A5
SCHEMBL6666687 0.74 ALPI (0.46) TSHRALPIPKMPTGS1XIAP
SCHEMBL5742102 0.73 CRBN (0.57) OPRM1OPRD1
SCHEMBL30694233 0.73 CRBN (0.57) OPRM1OPRD1
SCHEMBL7363047 0.73 CTSL (0.66) ALPIPKMPTGS1XIAPSLC7A5
SCHEMBL7361168 0.73 CTSL (0.66) ALPIPKMPTGS1XIAPSLC7A5
SCHEMBL7436896 0.73 CTSK (0.67) LTA4H
Hydrochloric Acid SCHEMBL31551114 0.73 CRBN (0.56) OPRM1OPRD1
Hydrochloric Acid SCHEMBL30694225 0.73 CRBN (0.56) OPRM1OPRD1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110263486-A1 Inhibitors of Cancer Cell, T-Cell and Keratinocyte Proliferation 4SC AG (DE) 2011-10-27 US disclosed
EP-2284179-A2 Inhibitors of cancer cell, T-cell and keratinocyte proliferation 4SC AG (DE) 2011-02-16 EP disclosed
EP-2284178-A2 Inhibitors of cancer cell, T-cell and keratinocyte proliferation 4SC AG (DE) 2011-02-16 EP disclosed
US-20090176716-A1 INHIBITORS OF CANCER CELL, T-CELL AND KERATINOCYTE PROLIFERATION LEBAN JOHANN 2009-07-09 US disclosed
US-7531517-B2 Inhibitors of cancer cell, T-cell and keratinocyte proliferation 4SC AG (DE) 2009-05-12 US disclosed
EP-1922327-A2 INHIBITORS OF CANCER CELL, T-CELL AND KERATINOCYTE PROLIFERATION 4SC AG (DE) 2008-05-21 EP disclosed
US-20070037753-A1 Inhibitors of cancer cell, T-cell and keratinocyte proliferation 4SC AG (DE) 2007-02-15 US disclosed
WO-2007017284-A2 INHIBITORS OF CANCER CELL, T-CELL AND KERATINOCYTE PROLIFERATION 4SC AG (DE) 2007-02-15 WO disclosed
EP-1752467-A1 Inhibitors of cancer cell, t-cell and keratinocyte proliferation 4SC AG (DE) 2007-02-14 EP 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 (3 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-20090176716-A1 INHIBITORS OF CANCER CELL, T-CELL AND KERATINOCYTE PROLIFERATION H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, EGFR, MKI67 RGS12 2813/4885TSHR 230/4885ALPI 4413/4885
US-20070037753-A1 Inhibitors of cancer cell, T-cell and keratinocyte proliferation H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, EGFR, MKI67 RGS12 2865/4885TSHR 219/4885ALPI 4456/4885
US-20110263486-A1 Inhibitors of Cancer Cell, T-Cell and Keratinocyte Proliferation H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, EGFR, MKI67 RGS12 2697/4885TSHR 223/4885ALPI 4372/4885

“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.