SCHEMBL4050602

SCHEMBL4050602

CSc1nc2ccccc2s1.Cc1ccc(S(=O)(=O)O)c(C)c1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CASR P41180 4/20 0.46
SMN1; SMN2 Q16637 4/20 0.46
NPC1 O15118 3/20 0.46
RAB9A P51151 3/20 0.46
LMNA P02545 2/20 0.46
NFKB1 P19838 1/20 0.46
NFKB2 Q00653 1/20 0.46
RELA Q04206 1/20 0.46
MAPT P10636 4/20 0.45
CYP3A4 P08684 2/20 0.45
GAA P10253 1/20 0.45
CYP2C9 P11712 1/20 0.45
MEN1 O00255 3/20 0.45
KMT2A Q03164 3/20 0.45
HPGD P15428 3/20 0.45
ALDH1A1 P00352 3/20 0.45
MAPK1 P28482 1/20 0.45
HTT P42858 2/20 0.44
PKM P14618 2/20 0.44
APEX1 P27695 2/20 0.44

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
SCHEMBL4051453 0.85 SMN1; SMN2 (0.62) SMN1; SMN2CYP3A4CYP1A2CYP2C19
SCHEMBL4055829 0.85 CASR (0.50) CASRSMN1; SMN2NPC1RAB9ALMNA
SCHEMBL4047918 0.83 PPARA (0.51) SMN1; SMN2NPC1RAB9AMAPTCYP3A4
SCHEMBL30690947 0.83 CYP3A4 (0.57) NPC1RAB9ALMNAMAPTCYP3A4
SCHEMBL4050598 0.80 SMN1; SMN2 (0.53) SMN1; SMN2LMNAMAPTCYP3A4GAA
SCHEMBL4048668 0.77 MEN1 (0.42) SMN1; SMN2NPC1RAB9ALMNAMAPT
SCHEMBL316415 0.76 ALDH1A1 (0.70) SMN1; SMN2NPC1RAB9AMAPTCYP3A4
SCHEMBL29368613 0.76 ALDH1A1 (0.70) SMN1; SMN2NPC1RAB9AMAPTCYP3A4
SCHEMBL4051276 0.75 FBP1 (0.41) SMN1; SMN2RAB9ALMNAGAAMEN1
SCHEMBL4050453 0.75 ALDH1A1 (0.41) SMN1; SMN2NPC1RAB9ALMNAGAA

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 CASR 3878/4885SMN1; SMN2 2177/4885NPC1 3790/4885

“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.