SCHEMBL7250696

SCHEMBL7250696

COC(=O)c1c(SC)[nH]c(=O)[nH]c1=O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
USP2 O75604 2/20 0.40
CYP1A2 P05177 1/20 0.40
ALDH1A1 P00352 5/20 0.39
KDM4E B2RXH2 4/20 0.39
KMT2A Q03164 4/20 0.39
MEN1 O00255 3/20 0.39
HPGD P15428 2/20 0.39
HSD17B10 Q99714 2/20 0.39
NPSR1 Q6W5P4 2/20 0.35
GAA P10253 2/20 0.35
GLA P06280 1/20 0.35
TYMP P19971 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
CA12 O43570 1/20 0.33
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
CA7 P43166 1/20 0.33
CA9 Q16790 1/20 0.33
CA14 Q9ULX7 1/20 0.33
LMNA P02545 3/20 0.33

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
SCHEMBL62885 0.76 NPSR1 (0.50) USP2CYP1A2ALDH1A1KDM4EKMT2A
SCHEMBL7252333 0.70 SMN1; SMN2 (0.45) USP2CYP1A2ALDH1A1KDM4EKMT2A
SCHEMBL13118482 0.65 MEN1 (0.36) USP2CYP1A2ALDH1A1KDM4EKMT2A
SCHEMBL12364192 0.64 L3MBTL1 (0.46) CYP1A2ALDH1A1KDM4EKMT2ANPSR1
SCHEMBL24761226 0.63 CYP1A2 (0.42) CYP1A2ALDH1A1KDM4EKMT2AMEN1
SCHEMBL1917991 0.63 CYP1A2 (0.42) CYP1A2ALDH1A1KDM4EKMT2AMEN1
SCHEMBL1224786 0.63 TYMP (0.45) USP2CYP1A2ALDH1A1KDM4EHSD17B10
SCHEMBL13272912 0.63 CYP1A2 (0.42) USP2CYP1A2ALDH1A1KDM4EKMT2A
SCHEMBL21886927 0.63 THRB (0.60) CYP1A2ALDH1A1KDM4EKMT2AMEN1
SCHEMBL31330663 0.63 KDM4C (0.51) USP2CYP1A2ALDH1A1KDM4EKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20030100549-A1 Inhibitors of c-Jun N-terminal kinases (JNK) VERTEX PHARMACEUTICALS INCORPORATED 2003-05-29 US 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-20030100549-A1 Inhibitors of c-Jun N-terminal kinases (JNK) MAP3K1, JUN, MAP3K7 USP2 1312/4885CYP1A2 4619/4885ALDH1A1 4310/4885

“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.