SCHEMBL4050465

SCHEMBL4050465

CSc1nc(C)cs1.Cc1ccc(S(=O)(=O)O)cc1C

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.39
ALDH1A1 P00352 12/20 0.39
PKM P14618 5/20 0.39
GAA P10253 5/20 0.39
MEN1 O00255 2/20 0.39
MAPT P10636 2/20 0.39
ALOX15 P16050 1/20 0.39
MAPK1 P28482 1/20 0.39
BRCA1 P38398 1/20 0.39
LMNA P02545 3/20 0.38
TDP1 Q9NUW8 1/20 0.38
CHRM5 P08912 1/20 0.37
RAB9A P51151 2/20 0.36
NPC1 O15118 1/20 0.35

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
SCHEMBL4048678 0.83 PHGDH (0.46) KMT2AALDH1A1MEN1MAPTLMNA
SCHEMBL4050006 0.81 KDM1A (0.45) KMT2AALDH1A1MEN1MAPTRAB9A
SCHEMBL4050455 0.80 ALDH1A1 (0.40) KMT2AALDH1A1PKMGAAMEN1
SCHEMBL4050956 0.79 PTGS2 (0.46) KMT2AALDH1A1GAAMEN1MAPT
SCHEMBL4051288 0.78 GRM4 (0.42) ALDH1A1PKMGAAMAPTMAPK1
SCHEMBL4050453 0.77 ALDH1A1 (0.41) KMT2AALDH1A1PKMGAAMAPK1
SCHEMBL30487906 0.75 LMNA (0.61) KMT2AALDH1A1PKMGAAMEN1
SCHEMBL83885 0.75 LMNA (0.61) KMT2AALDH1A1PKMGAAMEN1
SCHEMBL4050598 0.74 SMN1; SMN2 (0.53) KMT2AALDH1A1PKMGAAMAPT
SCHEMBL8715253 0.74 LMNA (0.59) KMT2AALDH1A1PKMGAAMEN1

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 KMT2A 531/4885ALDH1A1 1277/4885PKM 1368/4885

“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.