SCHEMBL10133080

SCHEMBL10133080

c1ccc(CCSCc2ccc(-c3ccccc3)cn2)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP12 P39900 1/20 0.47
MMP13 P45452 1/20 0.47
CYP1A2 P05177 3/20 0.47
CYP2D6 P10635 3/20 0.47
CYP2C19 P33261 3/20 0.47
CYP2C9 P11712 2/20 0.47
CYP3A4 P08684 1/20 0.47
HIF1A Q16665 3/20 0.43
SRC P12931 1/20 0.43
SMN1; SMN2 Q16637 3/20 0.41
ALPL P05186 1/20 0.41
ALPI P09923 1/20 0.41
ALPG P10696 1/20 0.41
HTT P42858 1/20 0.41
PTGER1 P34995 2/20 0.40
PTGER4 P35408 2/20 0.40
PTGER3 P43115 2/20 0.40
PTGER2 P43116 2/20 0.40
PDE10A Q9Y233 1/20 0.37
CA2 P00918 1/20 0.37

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
SCHEMBL27843023 0.81 HIF1A (0.49) CYP1A2CYP2D6HIF1ASRCSMN1; SMN2
SCHEMBL10133056 0.77 CYP2C19 (0.63) MMP12MMP13CYP1A2CYP2D6CYP2C19
SCHEMBL10133092 0.71 MMP12 (0.53) MMP12HIF1ASRC
SCHEMBL10133090 0.71 MMP12 (0.50) MMP12MMP13HIF1ASRCCA2
SCHEMBL10133086 0.71 HIF1A (0.41) HIF1ASRCSMN1; SMN2PDE10ANPC1
SCHEMBL6042308 0.70 HRH1 (0.52) CYP3A4HIF1ASRCSMN1; SMN2NPC1
SCHEMBL18876359 0.70 NPC1 (0.44) CYP2D6CYP2C19CYP2C9CYP3A4HIF1A
SCHEMBL6041956 0.70 NPC1 (0.47) HIF1ASRCSMN1; SMN2NPC1NFKB1
SCHEMBL6042719 0.70 TSHR (0.42) HIF1ASRC
SCHEMBL10133077 0.70 GAA (0.51) HIF1ASRCSMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8124605-B2 Compositions and methods for modulating a kinase cascade KINEX PHARMACEUTICALS, LLC (US) 2012-02-28 US disclosed
US-8124605-B2 Compositions and methods for modulating a kinase cascade KINEX PHARMACEUTICALS, LLC (US) 2012-02-28 US disclosed
US-20090149510-A1 Compositions and methods for modulating a kinase cascade OAKTREE FUND ADMINISTRATION, LLC 2009-06-11 US disclosed
US-20090149510-A1 Compositions and methods for modulating a kinase cascade OAKTREE FUND ADMINISTRATION, LLC 2009-06-11 US disclosed
WO-2009009041-A2 COMPOSITIONS AND METHODS FOR MODULATING A KINASE CASCADE KINEX PHARMACEUTICALS, LLC (US) 2009-01-15 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-20090149510-A1 Compositions and methods for modulating a kinase cascade MAP3K6, MAP3K4, MAP3K3 MMP12 2860/4885MMP13 2938/4885CYP1A2 4826/4885

“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.