SCHEMBL6263164

SCHEMBL6263164

CSC1=NC(=O)/C(=C/c2ccc(C)cc2)S1

nearest known ligand 0.77

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.77
MAPT P10636 4/20 0.77
GAA P10253 1/20 0.77
MYC P01106 1/20 0.71
MAX P61244 1/20 0.71
KMT2A Q03164 4/20 0.63
CYP1A2 P05177 2/20 0.63
CYP2C9 P11712 2/20 0.63
CYP2C19 P33261 2/20 0.63
CYP3A4 P08684 1/20 0.63
ALOX5 P09917 10/20 0.56
PTGS1 P23219 1/20 0.55
PTGS2 P35354 1/20 0.55
RAB9A P51151 1/20 0.55
GLA P06280 1/20 0.52
POLB P06746 1/20 0.52
HTT P42858 1/20 0.52
HPGD P15428 2/20 0.50
PIM1 P11309 1/20 0.50
PIM2 Q9P1W9 1/20 0.50

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
SCHEMBL6263166 1.00 ALDH1A1 (0.77) ALDH1A1MAPTGAAMYCMAX
SCHEMBL4058211 0.86 MYC (0.65) ALDH1A1MAPTGAAMYCMAX
SCHEMBL4057966 0.86 MYC (0.65) ALDH1A1MAPTGAAMYCMAX
SCHEMBL4058214 0.86 MYC (0.65) ALDH1A1MAPTGAAMYCMAX
SCHEMBL4057962 0.86 MYC (0.65) ALDH1A1MAPTGAAMYCMAX
SCHEMBL12961179 0.86 ALDH1A1 (0.75) ALDH1A1MAPTGAAMYCMAX
SCHEMBL17413661 0.86 MAPT (0.75) ALDH1A1MAPTGAAMYCMAX
SCHEMBL4048429 0.84 MYC (0.62) ALDH1A1MAPTGAAMYCMAX
SCHEMBL4048425 0.84 MYC (0.62) ALDH1A1MAPTGAAMYCMAX
SCHEMBL4049617 0.84 MYC (0.62) ALDH1A1MAPTGAAMYCMAX

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-2005082363-A1 THIAZOLONE COMPOUNDS FOR TREATMENT OF CANCER BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) 2005-09-09 WO claimed
US-7872027-B2 Low molecular weight Myc-max inhibitors UNIVERSITY OF PITTSBURGH - OF THE COMMONWEALTH SYSTEM OF HIGHER EDUCATION (US) 2011-01-18 US disclosed
US-20070203188-A1 oncoprotein gene expression inhibitors such as 5-[(4-chlorophenyl)methylidene]-3-(piperidin-1-ylmethyl)-2-sulfanylidene-1,3-thiazolidin-4-one, used as antiproliferative and anticarcinogenic agents UNIVERSITY OF PITTSBURGH (US) 2007-08-30 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-20070203188-A1 oncoprotein gene expression inhibitors such as 5-[(4-chlorophenyl)methylidene]-3-(piperidin-1-ylmethyl)-2-sulfanylidene-1,3-thiazolidin-4-one, used as antiproliferative and anticarcinogenic agents MYC, MYCBP, MAX ALDH1A1 3405/4885MAPT 4411/4885GAA 3294/4885

“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.