SCHEMBL4095558

SCHEMBL4095558

CC(=O)OCCc1cncs1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 4/20 0.43
NPC1 O15118 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
TDP1 Q9NUW8 1/20 0.42
LMNA P02545 3/20 0.40
PARP15 Q460N3 1/20 0.40
PARP10 Q53GL7 1/20 0.40
HTT P42858 3/20 0.38
CHRM5 P08912 2/20 0.37
CHRM1 P11229 2/20 0.37
CHRM3 P20309 2/20 0.37
PGR P06401 1/20 0.37
CHRM2 P08172 1/20 0.37
CHRM4 P08173 1/20 0.37
HTR1A P08908 1/20 0.37
CHRNB2 P17787 1/20 0.37
TBXA2R P21731 1/20 0.37
CHRNB4 P30926 1/20 0.37
CHRNA3 P32297 1/20 0.37
CHRNA7 P36544 1/20 0.37

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
SCHEMBL28905989 0.86 TDP1 (0.44) RAB9ANPC1SMN1; SMN2TDP1LMNA
SCHEMBL20809609 0.83 RAB9A (0.42) RAB9ANPC1SMN1; SMN2TDP1LMNA
SCHEMBL17080164 0.83 PARP15 (0.47) RAB9ANPC1SMN1; SMN2TDP1LMNA
SCHEMBL836547 0.82 RAB9A (0.56) RAB9ANPC1SMN1; SMN2TDP1LMNA
SCHEMBL27758216 0.73 DGKA (0.45) RAB9ANPC1SMN1; SMN2TDP1PARP15
SCHEMBL2095004 0.73 TRPM8 (0.36) RAB9ANPC1SMN1; SMN2TDP1LMNA
SCHEMBL29127659 0.72 TDP1 (0.35) RAB9ANPC1SMN1; SMN2TDP1LMNA
SCHEMBL29068719 0.72 ALDH1A1 (0.43) RAB9ASMN1; SMN2LMNAHTTCHRM5
SCHEMBL27548446 0.71 RAB9A (0.36) RAB9ANPC1SMN1; SMN2TDP1LMNA
SCHEMBL14763907 0.71 HCAR2 (0.41) RAB9ASMN1; SMN2HTTCHRM5CHRM1

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-20090209554-A1 Thiazoliums as transketolase inhibitors ARRAY BIOPHARMA INC. (US) 2009-08-20 US disclosed
US-20090209554-A1 Thiazoliums as transketolase inhibitors ARRAY BIOPHARMA INC. (US) 2009-08-20 US disclosed
US-20090209554-A1 Thiazoliums as transketolase inhibitors ARRAY BIOPHARMA INC. (US) 2009-08-20 US disclosed
WO-2005095391-A1 THIAZOLIUMS AS TRANSKETOLASE INHIBITORS ARRAY BIOPHARMA INC. (US) 2005-10-13 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-20090209554-A1 Thiazoliums as transketolase inhibitors TKT, RRM2, TYMS RAB9A 1148/4885NPC1 3755/4885SMN1; SMN2 3605/4885

“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.