SCHEMBL6183101

SCHEMBL6183101

O=C(O)c1sc(OCc2ccccc2)nc1-c1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDC7 O00311 4/20 0.52
DBF4 Q9UBU7 4/20 0.52
ALDH1A1 P00352 3/20 0.47
KDM4E B2RXH2 2/20 0.47
PTPN1 P18031 2/20 0.44
SMN1; SMN2 Q16637 1/20 0.43
HPGD P15428 1/20 0.43
NR4A2 P43354 2/20 0.43
HSD17B10 Q99714 1/20 0.42
NR4A1 P22736 1/20 0.42
NR4A3 Q92570 1/20 0.42
P4HTM Q9NXG6 1/20 0.41
POLB P06746 1/20 0.41
PTGDR2 Q9Y5Y4 1/20 0.41
PTPRA P18433 1/20 0.41
PPARG P37231 1/20 0.41
PPARA Q07869 1/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
CCNE1 P24864 1/20 0.41

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
SCHEMBL5820089 0.84 ALDH1A1 (0.53) CDC7DBF4ALDH1A1SMN1; SMN2HPGD
SCHEMBL5819987 0.81 CDC7 (0.47) CDC7DBF4ALDH1A1SMN1; SMN2HPGD
SCHEMBL5820220 0.79 CDC7 (0.54) CDC7DBF4ALDH1A1SMN1; SMN2HPGD
SCHEMBL5820225 0.78 CDC7 (0.52) CDC7DBF4ALDH1A1KDM4ESMN1; SMN2
SCHEMBL15049460 0.75 SMN1; SMN2 (0.55) CDC7DBF4ALDH1A1KDM4ESMN1; SMN2
SCHEMBL974859 0.75 CDC7 (0.84) CDC7DBF4ALDH1A1KDM4ESMN1; SMN2
SCHEMBL11286051 0.72 ALDH1A1 (0.70) CDC7DBF4ALDH1A1KDM4EHPGD
SCHEMBL5760659 0.72 CDC7 (0.59) CDC7DBF4ALDH1A1KDM4ESMN1; SMN2
SCHEMBL5816209 0.72 CDC7 (0.59) CDC7DBF4ALDH1A1KDM4ESMN1; SMN2
SCHEMBL5819445 0.70 CDC7 (0.51) CDC7DBF4ALDH1A1KDM4EPTPN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1291345-B1 Diacid-substituted heteroaryl derivatives as matrix metalloproteinase inhibitors WARNER LAMBERT CO (US) 2005-11-30 EP disclosed
US-6924276-B2 Diacid-substituted heteroaryl derivatives as matrix metalloproteinase inhibitors WARNER-LAMBERT COMPANY (US) 2005-08-02 US disclosed
US-20030087924-A1 Diacid-substituted heteroaryl derivatives as matrix metalloproteinase inhibitors SORENSON RODERICK JOSEPH (US) 2003-05-08 US disclosed
EP-1291345-A1 Diacid-substituted heteroaryl derivatives as matrix metalloproteinase inhibitors WARNER-LAMBERT COMPANY (US) 2003-03-12 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 (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-20030087924-A1 Diacid-substituted heteroaryl derivatives as matrix metalloproteinase inhibitors MMP13, MMP3, MMP9 CDC7 4461/4885DBF4 3620/4885ALDH1A1 732/4885

“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.