SCHEMBL14506751

SCHEMBL14506751

Cc1ccc(-c2ccsc2)cc1C

nearest known ligand 0.53

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 1/20 0.53
CYP2A6 P11509 7/20 0.48
CYP2E1 P05181 2/20 0.46
CYP2B6 P20813 2/20 0.46
ACMSD Q8TDX5 1/20 0.44
ERN1 O75460 1/20 0.44
PTPRC P08575 1/20 0.44
PDGFRB P09619 1/20 0.44
PDGFRA P16234 1/20 0.44
BACE1 P56817 1/20 0.43
PRMT6 Q96LA8 1/20 0.43
LPL P06858 1/20 0.41
LIPG Q9Y5X9 1/20 0.41
MCL1 Q07820 1/20 0.39
CYP17A1 P05093 1/20 0.39
CYP11B1 P15538 1/20 0.39
CYP11B2 P19099 1/20 0.39

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
SCHEMBL172731 0.82 ERN1 (0.57) KCNH2CYP2A6CYP2E1CYP2B6ACMSD
SCHEMBL3468319 0.82 KCNH2 (0.69) KCNH2CYP2A6CYP2E1CYP2B6ACMSD
SCHEMBL18717328 0.82 KCNH2 (0.69) KCNH2CYP2A6CYP2E1CYP2B6ACMSD
SCHEMBL27971830 0.82 KCNH2 (0.48) KCNH2CYP2A6CYP2E1CYP2B6ACMSD
SCHEMBL5992568 0.79 GAK (0.48) KCNH2CYP2A6ERN1PDGFRBPDGFRA
SCHEMBL26414634 0.79 ERN1 (0.50) KCNH2CYP2A6ERN1PDGFRBPDGFRA
SCHEMBL19354608 0.79 KCNH2 (0.46) KCNH2CYP2A6CYP2E1CYP2B6ACMSD
SCHEMBL19317255 0.79 KCNH2 (0.46) KCNH2CYP2A6CYP2E1CYP2B6ACMSD
SCHEMBL29702110 0.78 ALDH1A1 (0.55) MCL1
SCHEMBL3084322 0.78 ALDH1A1 (0.55) MCL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2017155910-A1 THIAZOLIDINONE COMPOUNDS AND USE THEREOF NATIONAL HEALTH RESEARCH INSTITUTES (TW) 2017-09-14 WO disclosed
US-20170253569-A1 THIAZOLIDINONE COMPOUNDS AND USE THEREOF REGENTS OF THE UNIVERSITY OF MINNESOTA 2017-09-07 US disclosed
US-20070116984-A1 SPIRO-COMPOUND FOR ELECTROLUMINESCENT DISPLAY DEVICE AND ELECTROLUMINESCENT DISPLAY DEVICE COMPRISING THE SAME DOOSAN CORPORATION (KR) 2007-05-24 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-20170253569-A1 THIAZOLIDINONE COMPOUNDS AND USE THEREOF OPRL1, OPRD1, OPRK1 KCNH2 2159/4885CYP2A6 80/4885CYP2E1 162/4885

“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.