SCHEMBL4621026

SCHEMBL4621026

CSCC1NC(=O)NC1=O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.43
HDAC8 Q9BY41 2/20 0.38
GAA P10253 2/20 0.37
KMT2A Q03164 3/20 0.35
MEN1 O00255 2/20 0.35
MAPT P10636 2/20 0.35
RAB9A P51151 1/20 0.35
ALDH1A1 P00352 3/20 0.32
CASP1 P29466 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.31
ADAMTS5 Q9UNA0 5/20 0.31
ADAM17 P78536 2/20 0.31
MMP2 P08253 1/20 0.31
ADAMTS4 O75173 2/20 0.31
HSD17B10 Q99714 1/20 0.31
RGS12 O14924 1/20 0.31
BACE1 P56817 1/20 0.31
ADAM10 O14672 1/20 0.30
MMP12 P39900 1/20 0.30
ADAM9 Q13443 1/20 0.30

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
SCHEMBL9854417 0.82 TSHR (0.41) TSHRGAAKMT2AMEN1ALDH1A1
SCHEMBL941671 0.82 TSHR (0.41) TSHRGAAKMT2AMEN1ALDH1A1
SCHEMBL23877959 0.82 TSHR (0.41) TSHRGAAKMT2AMEN1ALDH1A1
SCHEMBL941036 0.82 TSHR (0.41) TSHRGAAKMT2AMEN1ALDH1A1
SCHEMBL41055 0.79 HDAC8 (0.56) TSHRHDAC8GAAKMT2AMAPT
SCHEMBL28352175 0.79 HDAC8 (0.56) TSHRHDAC8GAAKMT2AMAPT
Potassium SCHEMBL29847318 0.78 HDAC8 (0.54) TSHRHDAC8GAAKMT2AMAPT
SCHEMBL28711685 0.78 HDAC8 (0.54) TSHRHDAC8GAAKMT2AMAPT
SCHEMBL29419662 0.78 HDAC8 (0.54) TSHRHDAC8GAAKMT2AMAPT
SCHEMBL28702424 0.78 HDAC8 (0.54) TSHRHDAC8GAAKMT2AMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1883454-A2 AGENT FOR PERMANENT HAIR WAVING CONTAINING HETEROCYCLIC MERCAPTO COMPOUND Showa Denko K.K. (JP) 2008-02-06 EP disclosed
WO-2006126729-A2 AGENT FOR PERMANENT HAIR WAVING CONTAINING HETEROCYCLIC MERCAPTO COMPOUND SHOWA DENKO K.K. (JP) 2006-11-30 WO disclosed
US-20040147573-A1 Metalloproteinase inhibitors ASTRAZENECA AB (SE) 2004-07-29 US disclosed
US-20040116486-A1 Metalloproteinase inhibitors ASTRAZENECA AB (SE) 2004-06-17 US disclosed
US-20040110809-A1 Metalloproteinase inhibitors ASTRAZENECA AB (SE) 2004-06-10 US disclosed
EP-1370536-A1 METALLOPROTEINASE INHIBITORS AstraZeneca AB (SE) 2003-12-17 EP disclosed
EP-1370535-A1 METALLOPROTEINASE INHIBITORS AstraZeneca AB (SE) 2003-12-17 EP disclosed
EP-1370538-A1 METALLOPROTEINASE INHIBITORS AstraZeneca AB (SE) 2003-12-17 EP disclosed
WO-2002074752-A1 METALLOPROTEINASE INHIBITORS ASTRAZENECA AB (SE) 2002-09-26 WO disclosed
WO-2002074749-A1 METALLOPROTEINASE INHIBITORS ASTRAZENECA AB (SE) 2002-09-26 WO disclosed
WO-2002074750-A1 METALLOPROTEINASE INHIBITORS ASTRAZENECA AB (SE) 2002-09-26 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-20040110809-A1 Metalloproteinase inhibitors MMP9, MMP2, MMP3 TSHR 3771/4885HDAC8 229/4885GAA 274/4885
US-20040147573-A1 Metalloproteinase inhibitors MMP12, MMP7, MMP10 TSHR 2971/4885HDAC8 463/4885GAA 408/4885

“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.