SCHEMBL4757975

SCHEMBL4757975

CSc1csc(NC(=O)c2ccccc2)n1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 6/20 0.67
RAB9A P51151 6/20 0.67
PTGS2 P35354 1/20 0.57
KDM4A O75164 2/20 0.57
KDM4B O94953 2/20 0.57
KDM5B Q9UGL1 2/20 0.57
ADORA3 P0DMS8 1/20 0.57
SCD O00767 1/20 0.56
SMN1; SMN2 Q16637 2/20 0.55
MAPT P10636 4/20 0.55
KDM4E B2RXH2 3/20 0.54
MEN1 O00255 3/20 0.54
KMT2A Q03164 3/20 0.54
ALDH1A1 P00352 2/20 0.54
PKM P14618 2/20 0.54
PDE5A O76074 1/20 0.54
ALOX15 P16050 1/20 0.54
TSHR P16473 1/20 0.54
HSD17B10 Q99714 1/20 0.54
NPSR1 Q6W5P4 2/20 0.53

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
SCHEMBL24242616 0.82 NPC1 (0.69) NPC1RAB9ASMN1; SMN2MAPTKDM4E
SCHEMBL704433 0.81 RAB9A (0.58) NPC1RAB9AADORA3SCDSMN1; SMN2
SCHEMBL704410 0.81 L3MBTL1 (0.45) NPC1RAB9ASMN1; SMN2MAPTKDM4E
SCHEMBL702035 0.80 NPC1 (0.57) NPC1RAB9ASMN1; SMN2MAPTKDM4E
SCHEMBL1270190 0.80 NPC1 (1.00) NPC1RAB9ASCDSMN1; SMN2MAPT
SCHEMBL3692510 0.79 BCAT2 (0.52) NPC1RAB9ASCDSMN1; SMN2KDM4E
SCHEMBL3260627 0.77 NPC1 (0.68) NPC1RAB9AKDM4AKDM4BKDM5B
SCHEMBL3603304 0.77 NPC1 (0.68) NPC1RAB9AKDM4AKDM4BKDM5B
SCHEMBL3180253 0.77 NPC1 (0.68) NPC1RAB9AKDM4AKDM4BKDM5B
SCHEMBL705399 0.77 RAB9A (0.51) NPC1RAB9APTGS2ADORA3SMN1; 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 13 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8895752-B2 Alkylsulfonyl-substituted thiazolide compounds ROMARK LABORATORIES L.C. (US) 2014-11-25 US disclosed
US-8895752-B2 Alkylsulfonyl-substituted thiazolide compounds ROMARK LABORATORIES L.C. (US) 2014-11-25 US disclosed
US-8772502-B2 Alkylsulfinyl-substituted thiazolide compounds ROMARK LABORATORIES, L.C. (US) 2014-07-08 US disclosed
US-8772502-B2 Alkylsulfinyl-substituted thiazolide compounds ROMARK LABORATORIES, L.C. (US) 2014-07-08 US disclosed
US-20120122939-A1 ALKYLSULFONYL-SUBSTITUTED THIAZOLIDE COMPOUNDS ROMARK LABORATORIES, L.C. 2012-05-17 US disclosed
US-20120122939-A1 ALKYLSULFONYL-SUBSTITUTED THIAZOLIDE COMPOUNDS ROMARK LABORATORIES, L.C. 2012-05-17 US disclosed
WO-2012061190-A1 ALKYLSULFINYL-SUBSTITUTED THIAZOLIDE COMPOUNDS ROMARK LABORATORIES L.C. (US) 2012-05-10 WO disclosed
US-20120108591-A1 ALKYLSULFINYL-SUBSTITUTED THIAZOLIDE COMPOUNDS ROMARK LABORATORIES, L.C. 2012-05-03 US disclosed
US-8124632-B2 Alkylsulfonyl-substituted thiazolide compounds ROMARK LABORATORIES, L.C. (US) 2012-02-28 US disclosed
US-8124632-B2 Alkylsulfonyl-substituted thiazolide compounds ROMARK LABORATORIES, L.C. (US) 2012-02-28 US disclosed
WO-2009035788-A1 ALKYLSULFONYL-SUBSTITUTED THIAZOLIDE COMPOUNDS ROMARK LABORATORIES L.C. (US) 2009-03-19 WO disclosed
US-20090036467-A1 ALKYLSULFONYL-SUBSTITUTED THIAZOLIDE COMPOUNDS ROMARK LABORATORIES L.C. 2009-02-05 US disclosed
US-20090036467-A1 ALKYLSULFONYL-SUBSTITUTED THIAZOLIDE COMPOUNDS ROMARK LABORATORIES L.C. 2009-02-05 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 (3 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-20120108591-A1 ALKYLSULFINYL-SUBSTITUTED THIAZOLIDE COMPOUNDS HAVCR2, EIF2AK2, HCCS NPC1 316/4885RAB9A 1584/4885PTGS2 3839/4885
US-20120122939-A1 ALKYLSULFONYL-SUBSTITUTED THIAZOLIDE COMPOUNDS HAVCR2, EIF2AK2, AADAC NPC1 585/4885RAB9A 1694/4885PTGS2 3455/4885
US-20090036467-A1 ALKYLSULFONYL-SUBSTITUTED THIAZOLIDE COMPOUNDS HAVCR2, EIF2AK2, AADAC NPC1 585/4885RAB9A 1694/4885PTGS2 3455/4885

“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.