SCHEMBL3977061

SCHEMBL3977061

NC(=S)Nc1cccc(OCCCCCOc2ccccc2)c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.51
TP53 P04637 1/20 0.51
TYR P14679 1/20 0.51
TSHR P16473 1/20 0.51
TAS2R38 P59533 1/20 0.51
HSD17B10 Q99714 1/20 0.51
SMN1; SMN2 Q16637 2/20 0.51
HTT P42858 1/20 0.51
LMNA P02545 2/20 0.50
PRSS1 P07477 6/20 0.49
F2 P00734 1/20 0.49
PLG P00747 1/20 0.49
PRSS2 P07478 1/20 0.49
C1S P09871 1/20 0.49
PRSS3 P35030 1/20 0.49
KMT2A Q03164 1/20 0.49
CYP1A2 P05177 1/20 0.47
KCNA3 P22001 1/20 0.47
NPC1 O15118 1/20 0.46
RAB9A P51151 1/20 0.46

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
SCHEMBL3978614 1.00 ALDH1A1 (0.51) ALDH1A1TP53TYRTSHRTAS2R38
SCHEMBL3974860 1.00 ALDH1A1 (0.51) ALDH1A1TP53TYRTSHRTAS2R38
SCHEMBL3973757 0.98 ALDH1A1 (0.53) ALDH1A1TP53TYRTSHRTAS2R38
SCHEMBL3977087 0.95 PRSS1 (0.54) ALDH1A1TP53TYRTSHRTAS2R38
SCHEMBL3984003 0.95 ALDH1A1 (0.50) ALDH1A1TP53TYRTSHRTAS2R38
SCHEMBL3976349 0.93 FABP1 (0.50) ALDH1A1TP53TYRTSHRTAS2R38
SCHEMBL3978333 0.93 FABP1 (0.50) ALDH1A1TP53TYRTSHRTAS2R38
SCHEMBL3978599 0.93 FABP1 (0.50) ALDH1A1TP53TYRTSHRTAS2R38
SCHEMBL3978152 0.93 SIRT2 (0.48) ALDH1A1TP53TYRTSHRTAS2R38
SCHEMBL4086569 0.92 KDM4E (0.49) ALDH1A1TP53TYRTSHRTAS2R38

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101522184-A Thiourea compounds NAT HEALTH RESEARCH INSTITUTES (CN) 2009-09-02 CN disclosed
EP-2056810-A2 THIOUREA COMPOUNDS National Health Research Institutes (TW) 2009-05-13 EP disclosed
US-20080113975-A1 THIOUREA COMPOUNDS NATIONAL HEALTH RESEARCH INSTITUTES (TW) 2008-05-15 US disclosed
US-20080113975-A1 THIOUREA COMPOUNDS NATIONAL HEALTH RESEARCH INSTITUTES (TW) 2008-05-15 US disclosed
US-20080113975-A1 THIOUREA COMPOUNDS NATIONAL HEALTH RESEARCH INSTITUTES (TW) 2008-05-15 US disclosed
US-20080096875-A1 THIOUREA COMPOUNDS NATIONAL HEALTH RESEARCH INSTITUTES (TW) 2008-04-24 US disclosed
US-20080096875-A1 THIOUREA COMPOUNDS NATIONAL HEALTH RESEARCH INSTITUTES (TW) 2008-04-24 US disclosed
US-20080096875-A1 THIOUREA COMPOUNDS NATIONAL HEALTH RESEARCH INSTITUTES (TW) 2008-04-24 US disclosed
WO-2008022204-A2 THIOUREA COMPOUNDS NATIONAL HEALTH RESEARCH INSTITUTES (TW) 2008-02-21 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 (2 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-20080096875-A1 THIOUREA COMPOUNDS TPMT, HAVCR2, ETV6 ALDH1A1 820/4885TP53 1137/4885TYR 2169/4885
US-20080113975-A1 THIOUREA COMPOUNDS TPMT, HAVCR2, EIF2AK2 ALDH1A1 500/4885TP53 1194/4885TYR 2412/4885

“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.