SCHEMBL6664021

SCHEMBL6664021

COC(=O)c1cc(-c2ccc(-c3ccncc3)cc2)cs1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP12 P39900 5/20 0.51
MMP13 P45452 3/20 0.51
ALAD P13716 2/20 0.49
MMP8 P22894 2/20 0.48
MMP3 P08254 1/20 0.48
MMP9 P14780 1/20 0.48
NR4A2 P43354 1/20 0.47
CYP46A1 Q9Y6A2 1/20 0.47
MAPK10 P53779 3/20 0.46
MAPK8 P45983 2/20 0.46
MAPK9 P45984 1/20 0.45
AXL P30530 1/20 0.44
ABL1 P00519 1/20 0.44
CYP3A4 P08684 1/20 0.43
PRKACA P17612 1/20 0.43
ROCK1 Q13464 1/20 0.43
MMP2 P08253 1/20 0.41
HDAC6 Q9UBN7 2/20 0.41
HDAC1 Q13547 1/20 0.41
HSD17B10 Q99714 2/20 0.40

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
Hydrochloric Acid SCHEMBL6368823 0.98 MMP12 (0.50) MMP12MMP13ALADMMP8MMP3
SCHEMBL6882926 0.85 ALAD (0.50) MMP12MMP13ALADMMP8ABL1
SCHEMBL6881198 0.84 OPRD1 (0.56) MMP12MMP13ALADMMP8ABL1
SCHEMBL6369543 0.84 ALAD (0.49) MMP12MMP13ALADMMP8ABL1
SCHEMBL6368361 0.84 ALAD (0.71) MMP12MMP13ALADMMP8ABL1
SCHEMBL6704697 0.84 ALAD (0.71) ALADABL1KDM4EALDH1A1
SCHEMBL2326735 0.83 HDAC6 (0.57) MMP12MMP13ALADABL1HDAC6
SCHEMBL6143622 0.83 ALAD (0.69) MMP12MMP13ALADMMP8MMP3
SCHEMBL6373405 0.83 MMP12 (0.52) MMP12MMP13ALADMMP8ABL1
SCHEMBL6883103 0.81 HTT (0.60) MAPK10MAPK8CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040171543-A1 Matrix metalloproteinase inhibitors and methods for identification of lead compounds WARNER-LAMBERT COMPANY LLC 2004-09-02 US disclosed
WO-2004014381-A2 MATRIX METALLOPROTEINASE INHIBITORS AND METHODS FOR IDENTIFICATION OF LEAD COMPOUNDS WARNER-LAMBERT COMPANY LLC. (US) 2004-02-19 WO disclosed
WO-2004014381-A2 MATRIX METALLOPROTEINASE INHIBITORS AND METHODS FOR IDENTIFICATION OF LEAD COMPOUNDS WARNER-LAMBERT COMPANY LLC. (US) 2004-02-19 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-20040171543-A1 Matrix metalloproteinase inhibitors and methods for identification of lead compounds MMP13, MMP3, MMP26 MMP12 4/4885MMP13 1/4885ALAD 2498/4885

“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.