SCHEMBL10189644

SCHEMBL10189644

CC(C)(C)Nc1sc2c(c1C(N)=O)CCNC2

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPRC P08575 1/20 0.53
PTPN2 P17706 1/20 0.53
PTPN1 P18031 1/20 0.53
CXCR2 P25025 1/20 0.47
ANO1 Q5XXA6 2/20 0.46
ADORA1 P30542 2/20 0.45
FLT3 P36888 4/20 0.44
KDM4E B2RXH2 3/20 0.44
KMT2A Q03164 3/20 0.44
MEN1 O00255 2/20 0.44
CYP1A2 P05177 1/20 0.44
CYP2C19 P33261 1/20 0.44
ALDH1A1 P00352 5/20 0.42
RAB9A P51151 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
NPC1 O15118 1/20 0.42
LMNA P02545 1/20 0.42
HPGD P15428 1/20 0.41
ALOX15 P16050 1/20 0.41
TSHR P16473 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
SCHEMBL8288837 0.85 PTPRC (0.52) PTPRCPTPN2PTPN1CXCR2ANO1
SCHEMBL13151117 0.85 PTPRC (0.53) PTPRCPTPN2PTPN1CXCR2ANO1
SCHEMBL10189463 0.81 PTPRC (0.48) PTPRCPTPN2PTPN1CXCR2ADORA1
SCHEMBL8288687 0.77 PTPRC (0.52) PTPRCPTPN2PTPN1ANO1FLT3
SCHEMBL8290465 0.76 FLT3 (0.68) PTPRCPTPN2PTPN1ANO1FLT3
SCHEMBL8289857 0.75 ADORA1 (0.63) PTPRCPTPN2PTPN1ANO1ADORA1
SCHEMBL14136697 0.74 KCNH2 (0.49) PTPRCPTPN2PTPN1CXCR2FLT3
SCHEMBL349390 0.74 KCNH2 (0.62) PTPRCPTPN2PTPN1CXCR2ANO1
SCHEMBL10189497 0.74 ALDH1A1 (0.47) ANO1FLT3KDM4EKMT2AMEN1
SCHEMBL14136793 0.74 FLT3 (0.52) PTPRCPTPN2PTPN1CXCR2FLT3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8329907-B2 Autotaxin inhibitors MERCK PATENT GMBH (DE) 2012-12-11 US disclosed
US-20120015976-A1 AUTOTAXIN INHIBITORS MERCK PATENT GESELLSCHAFT MIT BESCHRANK TER HAFTUNG (DE) 2012-01-19 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-20120015976-A1 AUTOTAXIN INHIBITORS ENPP2, PLA2G12A, LPCAT1 PTPRC 1727/4885PTPN2 2318/4885PTPN1 2080/4885

“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.