SCHEMBL4050598

SCHEMBL4050598

CSc1nc2ccccc2s1.Cc1ccc(S(=O)(=O)O)cc1C

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.53
PKM P14618 2/20 0.51
CYP3A4 P08684 2/20 0.47
CYP1A2 P05177 1/20 0.47
CYP2C19 P33261 1/20 0.47
ALDH1A1 P00352 4/20 0.47
LMNA P02545 2/20 0.47
NPSR1 Q6W5P4 1/20 0.47
MAPT P10636 4/20 0.46
GAA P10253 3/20 0.46
CYP2C9 P11712 1/20 0.46
TP53 P04637 2/20 0.46
APEX1 P27695 1/20 0.44
HTT P42858 1/20 0.44
KMT2A Q03164 1/20 0.44
HSD17B10 Q99714 2/20 0.43
ADRA2A P08913 1/20 0.43
FBP1 P09467 1/20 0.43
ADORA3 P0DMS8 1/20 0.43
DRD2 P14416 1/20 0.43

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
SCHEMBL30690947 0.86 CYP3A4 (0.57) PKMCYP3A4CYP1A2CYP2C19ALDH1A1
SCHEMBL4051451 0.85 SMN1; SMN2 (0.64) SMN1; SMN2PKMCYP3A4CYP1A2CYP2C19
SCHEMBL4055826 0.85 SMN1; SMN2 (0.57) SMN1; SMN2PKMALDH1A1LMNANPSR1
SCHEMBL4047916 0.83 PPARA (0.49) SMN1; SMN2PKMCYP3A4CYP1A2CYP2C19
SCHEMBL6516847 0.82 CYP1A2 (0.66) SMN1; SMN2PKMCYP3A4CYP1A2CYP2C19
SCHEMBL4050605 0.81 ALDH1A1 (0.49) SMN1; SMN2PKMCYP3A4CYP1A2CYP2C19
SCHEMBL4050602 0.80 CASR (0.46) SMN1; SMN2PKMCYP3A4CYP1A2CYP2C19
SCHEMBL316415 0.77 ALDH1A1 (0.70) SMN1; SMN2PKMCYP3A4CYP1A2CYP2C19
SCHEMBL29368613 0.77 ALDH1A1 (0.70) SMN1; SMN2PKMCYP3A4CYP1A2CYP2C19
SCHEMBL4048678 0.76 PHGDH (0.46) SMN1; SMN2CYP3A4CYP1A2CYP2C19ALDH1A1

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 SMN1; SMN2 2177/4885PKM 1368/4885CYP3A4 2709/4885

“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.