SCHEMBL4050453

SCHEMBL4050453

CSc1nc(C)cs1.Cc1ccc(S(=O)(=O)O)c(C)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.41
SMN1; SMN2 Q16637 5/20 0.38
RAB9A P51151 2/20 0.35
KMT2A Q03164 1/20 0.35
LMNA P02545 1/20 0.34
TP53 P04637 2/20 0.34
L3MBTL1 Q9Y468 2/20 0.34
NPC1 O15118 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
HTT P42858 1/20 0.34
MEP1B Q16820 1/20 0.34
ALKBH2 Q6NS38 1/20 0.34
ALKBH5 Q6P6C2 1/20 0.34
ALKBH3 Q96Q83 1/20 0.34
FTO Q9C0B1 1/20 0.34
GAA P10253 2/20 0.33
RAPGEF4 Q8WZA2 1/20 0.33
HSD17B10 Q99714 1/20 0.33
PKM P14618 1/20 0.33
MAPK1 P28482 1/20 0.33

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
SCHEMBL4048668 0.83 MEN1 (0.42) ALDH1A1SMN1; SMN2RAB9AKMT2ALMNA
SCHEMBL4050001 0.81 KDM1A (0.44) RAB9AKMT2ALMNATP53L3MBTL1
SCHEMBL4050951 0.80 C1S (0.42) ALDH1A1SMN1; SMN2RAB9AKMT2ALMNA
SCHEMBL4051276 0.79 FBP1 (0.41) ALDH1A1SMN1; SMN2RAB9AKMT2ALMNA
SCHEMBL4050465 0.77 KMT2A (0.39) ALDH1A1RAB9AKMT2ALMNANPC1
SCHEMBL26645 0.76 MEP1B (0.49) ALDH1A1SMN1; SMN2KMT2ALMNATP53
SCHEMBL29454656 0.76 MEP1B (0.49) ALDH1A1SMN1; SMN2KMT2ALMNATP53
SCHEMBL4050602 0.75 CASR (0.46) ALDH1A1SMN1; SMN2RAB9AKMT2ALMNA
SCHEMBL3105642 0.74 MEP1B (0.47) ALDH1A1SMN1; SMN2KMT2ALMNATP53
Water SCHEMBL21412761 0.74 MEP1B (0.47) ALDH1A1SMN1; SMN2KMT2ALMNATP53

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 1277/4885SMN1; SMN2 2177/4885RAB9A 802/4885

“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.