SCHEMBL13628117

SCHEMBL13628117

COC(=O)CCCN1C(=O)/C(=N/O)c2ccc(-c3ccsc3)cc21

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR4A2 P43354 1/20 0.39
MAPT P10636 3/20 0.36
HSD17B10 Q99714 2/20 0.36
ALOX15 P16050 1/20 0.36
CASP1 P29466 1/20 0.36
CASP7 P55210 1/20 0.36
KAT2B Q92831 2/20 0.35
HDAC1 Q13547 2/20 0.35
HDAC6 Q9UBN7 2/20 0.35
ALDH1A1 P00352 1/20 0.34
MAPK1 P28482 1/20 0.34
P2RX3 P56373 2/20 0.34
PTPRC P08575 1/20 0.34
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
OPRL1 P41146 1/20 0.33
BCL2L1 Q07817 1/20 0.33
MCL1 Q07820 1/20 0.33
DRD2 P14416 2/20 0.33
DRD3 P35462 2/20 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
SCHEMBL13910808 0.88 PTPRC (0.34) NR4A2MAPTHSD17B10ALOX15CASP1
SCHEMBL13628109 0.84 CCNC (0.41) MAPTHSD17B10ALOX15CASP1CASP7
SCHEMBL13628097 0.84 HSD17B10 (0.36) MAPTHSD17B10ALOX15CASP1CASP7
SCHEMBL13628111 0.82 PTPRC (0.43) MAPTCASP1CASP7HDAC1HDAC6
SCHEMBL13910878 0.81 MAPT (0.42) MAPTHSD17B10ALOX15CASP1CASP7
SCHEMBL13628132 0.81 MAPT (0.42) MAPTHSD17B10ALOX15CASP1CASP7
SCHEMBL13628126 0.79 HSD17B10 (0.39) MAPTHSD17B10ALOX15CASP1CASP7
SCHEMBL13628113 0.78 MAPT (0.42) MAPTALDH1A1MAPK1PTPRCMEN1
SCHEMBL13628116 0.78 TRPA1 (0.47) NR4A2MAPT
SCHEMBL13628114 0.71 CYP19A1 (0.46) HSD17B10ALDH1A1

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
US-7612065-B2 Inhibitors of c-JUN N-terminal kinases (JNK) VERTEX PHARMACEUTICALS INCORPORATED (US) 2009-11-03 US disclosed
US-7612065-B2 Inhibitors of c-JUN N-terminal kinases (JNK) VERTEX PHARMACEUTICALS INCORPORATED (US) 2009-11-03 US disclosed
US-20080033022-A1 Inhibitors of c-Jun N-terminal kinases (JNK) SALITURO FRANCESCO G 2008-02-07 US disclosed
US-20080033022-A1 Inhibitors of c-Jun N-terminal kinases (JNK) SALITURO FRANCESCO G 2008-02-07 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-20080033022-A1 Inhibitors of c-Jun N-terminal kinases (JNK) MAP3K1, JUN, MAP3K7 NR4A2 3893/4885MAPT 1666/4885HSD17B10 3985/4885

“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.