SCHEMBL4095559

SCHEMBL4095559

CCOC(=O)Cc1cncs1

nearest known ligand 0.54

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.54
RAB9A P51151 3/20 0.47
NPC1 O15118 2/20 0.47
TRPM8 Q7Z2W7 1/20 0.45
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
ALDH1A1 P00352 1/20 0.43
TSHR P16473 1/20 0.43
TDP1 Q9NUW8 1/20 0.42
LMNA P02545 1/20 0.40
PARP15 Q460N3 1/20 0.40
PARP10 Q53GL7 1/20 0.40
GAA P10253 1/20 0.40
CA12 O43570 1/20 0.39
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
CA9 Q16790 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
SCHEMBL19937708 0.82 RAB9A (0.46) SMN1; SMN2RAB9ANPC1TRPM8TDP1
SCHEMBL28109155 0.80 PARP15 (0.43) SMN1; SMN2RAB9ANPC1TRPM8TDP1
SCHEMBL19475116 0.78 RAB9A (0.40) SMN1; SMN2RAB9ANPC1TRPM8ALDH1A1
SCHEMBL16887640 0.77 RAB9A (0.40) SMN1; SMN2RAB9ANPC1TRPM8TDP1
SCHEMBL5540669 0.76 RAB9A (0.54) SMN1; SMN2RAB9ANPC1TRPM8TDP1
SCHEMBL16892250 0.76
SCHEMBL874465 0.74
SCHEMBL2660240 0.73 KDM4E (0.44) SMN1; SMN2RAB9ANPC1TRPM8MEN1
SCHEMBL28488682 0.73 MGAM (0.44) SMN1; SMN2RAB9ANPC1MEN1KMT2A
SCHEMBL18696308 0.73 SMN1; SMN2 (0.68) SMN1; SMN2NPC1TRPM8MEN1KMT2A

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 7 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
CN-100467440-C Quaternary bis-ammonium salt precursors and their uses as prodrugs having an antiparasitic activity CENTRE NAT RECH SCIENT (FR) 2009-03-11 CN disclosed
CN-1956971-A Novel fused heterocycles and application thereof ASTRAZENECA AB (SE) 2007-05-02 CN disclosed
CN-1733699-A Quaternary bis-ammonium salt precursors and their uses as prodrugs having an antiparasitic activity CENTRE NAT RECH SCIENT (FR) 2006-02-15 CN disclosed
WO-2005095391-A1 THIAZOLIUMS AS TRANSKETOLASE INHIBITORS ARRAY BIOPHARMA INC. (US) 2005-10-13 WO disclosed
CN-1181043-C Bis-quaternary ammonium salt precursors and their use as antiparasitic prodrugs ���ҿ�ѧ�о����� 2004-12-22 CN disclosed
CN-1372539-A Bis-quaternary ammonium salt precursors and their use as antiparasitic prodrugs CT NAT DE LA RECH SCIENT C N P (FR) 2002-10-02 CN 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 SMN1; SMN2 3605/4885RAB9A 1148/4885NPC1 3755/4885

“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.