SCHEMBL4050455

SCHEMBL4050455

CCc1ccc(S(=O)(=O)O)cc1.CSc1nc(C)cs1

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 9/20 0.40
PKM P14618 4/20 0.40
GAA P10253 3/20 0.40
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
MAPT P10636 1/20 0.40
ALOX15 P16050 1/20 0.40
MAPK1 P28482 1/20 0.40
BRCA1 P38398 1/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
CA2 P00918 1/20 0.37
LMNA P02545 1/20 0.37
THRB P10828 1/20 0.37
CHRM5 P08912 1/20 0.36

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
SCHEMBL4048676 0.82 PHGDH (0.48) ALDH1A1PKMMEN1KMT2AMAPT
SCHEMBL4050465 0.80 KMT2A (0.39) ALDH1A1PKMGAAMEN1KMT2A
SCHEMBL4050004 0.80 RORC (0.48) ALDH1A1MEN1KMT2AMAPTALOX15
SCHEMBL4050954 0.78 LTA4H (0.46) ALDH1A1PKMMEN1KMT2AMAPT
SCHEMBL4051285 0.77 FBP1 (0.39) ALDH1A1PKMGAAKMT2AMAPT
SCHEMBL93796 0.74 CA2 (0.61) ALDH1A1GAAMEN1KMT2AMAPT
SCHEMBL1563242 0.74 CA2 (0.61) ALDH1A1GAAMEN1KMT2AMAPT
SCHEMBL4050605 0.73 ALDH1A1 (0.49) ALDH1A1PKMGAAMAPTMAPK1
SCHEMBL1589664 0.73 CA2 (0.59) ALDH1A1GAAMEN1KMT2AMAPT
Ammonia Solution, Strong SCHEMBL28149524 0.73 CA2 (0.59) ALDH1A1GAAMEN1KMT2AMAPT

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-20090247579-A1 2-[3H-THIAZOL-2-YLIDINEMETHYL]PYRIDINES AND RELATED COMPOUNDS AND THEIR USE CANCER RESEARCH TECHNOLOGY LIMITED 2009-10-01 US disclosed
EP-2029584-A2 2-[3H-THIAZOL-2-YLIDINEMETHYL]PYRIDINES AND RELATED COMPOUNDS AND THEIR USE Cancer Research Technology Limited (GB) 2009-03-04 EP disclosed
WO-2007096618-A2 2-[3H-THIAZOL-2-YLIDINEMETHYL]PYRIDINES AND RELATED COMPOUNDS AND THEIR USE CANCER RESEARCH TECHNOLOGY LIMITED (GB) 2007-08-30 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-20090247579-A1 2-[3H-THIAZOL-2-YLIDINEMETHYL]PYRIDINES AND RELATED COMPOUNDS AND THEIR USE RB1, RBBP5, RRM2B ALDH1A1 1277/4885PKM 1368/4885GAA 3696/4885

“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.