SCHEMBL6153749

SCHEMBL6153749

NNC(=S)Nc1cccc(SCCCc2ccccc2)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.49
MEN1 O00255 4/20 0.49
IDO1 P14902 5/20 0.46
LMNA P02545 5/20 0.45
ALDH1A1 P00352 4/20 0.45
MAPT P10636 4/20 0.45
HTT P42858 2/20 0.45
GAA P10253 2/20 0.43
TAAR1 Q96RJ0 1/20 0.43
NPC1 O15118 2/20 0.43
RAB9A P51151 2/20 0.43
MAOB P27338 2/20 0.43
MAOA P21397 1/20 0.43
ALOX12 P18054 3/20 0.41
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
RECQL P46063 1/20 0.41
HPGD P15428 2/20 0.40

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
SCHEMBL6154721 0.78 IDO1 (0.46) KMT2AMEN1IDO1LMNAALDH1A1
SCHEMBL6662548 0.77 CYP1A2 (0.41) KMT2AMEN1ALDH1A1NPC1RAB9A
SCHEMBL6155200 0.76 MAOA (0.41) KMT2AMEN1ALDH1A1NPC1RAB9A
SCHEMBL6243326 0.73 HTT (0.52) KMT2AMEN1IDO1ALDH1A1MAPT
SCHEMBL6154720 0.73 IDO1 (0.44) KMT2AMEN1IDO1LMNAALDH1A1
SCHEMBL5556571 0.73 ALDH1A1 (0.45) KMT2AMEN1IDO1LMNAALDH1A1
SCHEMBL5432263 0.72 MAPT (0.69) KMT2AMEN1IDO1ALDH1A1MAPT
SCHEMBL6154261 0.72 MAOB (0.55) IDO1ALDH1A1MAOBMAOACYP1A2
SCHEMBL1932895 0.71 CYP1A2 (0.62) KMT2AMEN1IDO1ALDH1A1RAB9A
SCHEMBL6155072 0.71 ALDH1A1 (0.51) KMT2AMEN1IDO1LMNAALDH1A1

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
US-20050065118-A1 Organosulfur inhibitors of tyrosine phosphatases METABASIS THERAPEUTICS, INC. 2005-03-24 US disclosed
EP-1446110-A2 ORGANOSULFUR INHIBITORS OF TYROSINE PHOSPHATASES Structural Bioinformatics Inc. (US) 2004-08-18 EP disclosed
WO-2003032916-A2 ORGANOSULFUR INHIBITORS OF TYROSINE PHOSPHATASES STRUCTURAL BIOINFORMATICS INC. (US) 2003-04-24 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 (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-20050065118-A1 Organosulfur inhibitors of tyrosine phosphatases PTPRS, PTPRJ, PTPRCAP KMT2A 875/4885MEN1 4329/4885IDO1 1533/4885

“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.