SCHEMBL4050951

SCHEMBL4050951

COc1ccc(-c2csc(SC)n2)cc1.Cc1ccc(S(=O)(=O)O)c(C)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
C1S P09871 1/20 0.42
PTGS2 P35354 1/20 0.42
MAPT P10636 7/20 0.41
NPC1 O15118 6/20 0.41
RAB9A P51151 6/20 0.41
ALDH1A1 P00352 4/20 0.41
SMN1; SMN2 Q16637 4/20 0.41
POLB P06746 3/20 0.41
KCNQ1 P51787 1/20 0.41
KDM4E B2RXH2 4/20 0.40
ATM Q13315 1/20 0.40
KDM1A O60341 1/20 0.40
MAOA P21397 1/20 0.40
MEN1 O00255 3/20 0.40
MAPK1 P28482 2/20 0.40
L3MBTL1 Q9Y468 2/20 0.40
GAA P10253 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
RECQL P46063 2/20 0.39
CRHBP P24387 1/20 0.39

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
SCHEMBL4050001 0.87 KDM1A (0.44) C1SMAPTNPC1RAB9APOLB
SCHEMBL4048668 0.87 MEN1 (0.42) C1SMAPTNPC1RAB9AALDH1A1
SCHEMBL4050956 0.82 PTGS2 (0.46) C1SPTGS2MAPTNPC1RAB9A
SCHEMBL4050453 0.80 ALDH1A1 (0.41) NPC1RAB9AALDH1A1SMN1; SMN2MAPK1
SCHEMBL4055990 0.79 NPC1 (0.63) C1SPTGS2MAPTNPC1RAB9A
SCHEMBL4047918 0.78 PPARA (0.51) MAPTNPC1RAB9AALDH1A1SMN1; SMN2
SCHEMBL4050954 0.76 LTA4H (0.46) MAPTNPC1RAB9AALDH1A1SMN1; SMN2
SCHEMBL4051276 0.70 FBP1 (0.41) RAB9AALDH1A1SMN1; SMN2MEN1L3MBTL1
SCHEMBL4050602 0.69 CASR (0.46) MAPTNPC1RAB9AALDH1A1SMN1; SMN2
SCHEMBL10372894 0.69 ALKBH3 (0.50) PTGS2MAPTRAB9AALDH1A1SMN1; SMN2

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 C1S 4486/4885PTGS2 1742/4885MAPT 4065/4885

“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.