SCHEMBL4055829

SCHEMBL4055829

Cc1ccc(S(=O)(=O)O)c(C)c1.Cc1nc2ccccc2s1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CASR P41180 5/20 0.50
LMNA P02545 4/20 0.47
HTT P42858 2/20 0.47
SMN1; SMN2 Q16637 4/20 0.47
NPC1 O15118 3/20 0.47
RAB9A P51151 3/20 0.47
NFKB1 P19838 1/20 0.47
NFKB2 Q00653 1/20 0.47
RELA Q04206 1/20 0.47
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
ALDH1A1 P00352 2/20 0.45
HPGD P15428 1/20 0.45
MAPK1 P28482 1/20 0.45
TDP1 Q9NUW8 2/20 0.43
MAPT P10636 2/20 0.43
CYP1A2 P05177 1/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2D6 P10635 1/20 0.43
CYP2C19 P33261 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
SCHEMBL4050602 0.85 CASR (0.46) CASRLMNAHTTSMN1; SMN2NPC1
SCHEMBL9098356 0.81 TDP1 (0.54) LMNAHTTSMN1; SMN2NPC1RAB9A
SCHEMBL5176141 0.81 KDM4E (0.44) LMNAHTTSMN1; SMN2NPC1RAB9A
SCHEMBL4055826 0.77 SMN1; SMN2 (0.57) LMNAHTTSMN1; SMN2NPC1RAB9A
SCHEMBL26645 0.76 MEP1B (0.49) LMNAHTTSMN1; SMN2MEN1KMT2A
SCHEMBL29454656 0.76 MEP1B (0.49) LMNAHTTSMN1; SMN2MEN1KMT2A
SCHEMBL14871610 0.76 ALDH1A1 (0.54) LMNASMN1; SMN2NPC1RAB9ANFKB1
Quinoline SCHEMBL27564636 0.76 ALDH1A1 (0.51) LMNAHTTSMN1; SMN2NPC1RAB9A
SCHEMBL6908120 0.74 MEP1B (0.47) LMNAHTTSMN1; SMN2MEN1KMT2A
Water SCHEMBL21412761 0.74 MEP1B (0.47) LMNAHTTSMN1; SMN2MEN1KMT2A

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 4 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
US-4180405-A COLOR-FORMING LACTONES OR SPIROPYRANS WITH CYCLIC POLYKETO COLOR PRECURSOR GRAPHIC CONTROLS CORPORATION (US) 1979-12-25 US 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 3878/4885LMNA 1852/4885HTT 2717/4885

“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.