SCHEMBL4937296

SCHEMBL4937296

CCC(CC)S(=O)(=O)c1cnc(NC(=O)c2ccc(OC(C)=O)c(OC(C)=O)c2)s1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TOP1 P11387 2/20 0.46
RAB9A P51151 6/20 0.43
SMN1; SMN2 Q16637 5/20 0.43
NPC1 O15118 4/20 0.43
ALDH1A1 P00352 4/20 0.43
HPGD P15428 1/20 0.43
KDM4E B2RXH2 3/20 0.43
PKM P14618 3/20 0.40
MEN1 O00255 3/20 0.40
KMT2A Q03164 3/20 0.40
HTT P42858 2/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
TSHR P16473 2/20 0.39
GAA P10253 1/20 0.39
SCD O00767 3/20 0.39
PAX8 Q06710 1/20 0.39
MLNR O43193 1/20 0.38
NR1I2 O75469 1/20 0.38
ABCB11 O95342 1/20 0.38
LMNA P02545 1/20 0.38

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
SCHEMBL4757156 0.82 KMT2A (0.46) RAB9ASMN1; SMN2NPC1ALDH1A1HPGD
SCHEMBL4937304 0.77 KDM4E (0.34) RAB9ASMN1; SMN2NPC1ALDH1A1KDM4E
SCHEMBL4756931 0.77 NPC1 (0.34) RAB9ASMN1; SMN2NPC1ALDH1A1PKM
SCHEMBL10114568 0.76 TOP1 (0.44) TOP1RAB9ASMN1; SMN2NPC1ALDH1A1
SCHEMBL10114338 0.73 MEN1 (0.53) TOP1RAB9ASMN1; SMN2NPC1ALDH1A1
SCHEMBL4756621 0.72 KCNMA1 (0.45) RAB9ASMN1; SMN2NPC1ALDH1A1HPGD
SCHEMBL4756610 0.72 ALDH1A1 (0.46) RAB9ASMN1; SMN2NPC1ALDH1A1KDM4E
SCHEMBL4757122 0.71 MEN1 (0.41) RAB9ASMN1; SMN2NPC1ALDH1A1HPGD
SCHEMBL702024 0.71 RAB9A (0.57) RAB9ASMN1; SMN2NPC1ALDH1A1KDM4E
SCHEMBL703471 0.70 MEN1 (0.51) RAB9ASMN1; SMN2NPC1ALDH1A1HPGD

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
EP-2178852-B9 ALKYLSULFONYL-SUBSTITUTED THIAZOLIDE COMPOUNDS ROMARK LAB LC (US) 2016-06-22 EP disclosed
EP-2178852-B1 ALKYLSULFONYL-SUBSTITUTED THIAZOLIDE COMPOUNDS ROMARK LAB LC (US) 2015-07-22 EP disclosed
US-8895752-B2 Alkylsulfonyl-substituted thiazolide compounds ROMARK LABORATORIES L.C. (US) 2014-11-25 US disclosed
US-20120122939-A1 ALKYLSULFONYL-SUBSTITUTED THIAZOLIDE COMPOUNDS ROMARK LABORATORIES, L.C. 2012-05-17 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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 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-20120122939-A1 ALKYLSULFONYL-SUBSTITUTED THIAZOLIDE COMPOUNDS HAVCR2, EIF2AK2, AADAC TOP1 3011/4885RAB9A 1694/4885SMN1; SMN2 3410/4885
US-20090036467-A1 ALKYLSULFONYL-SUBSTITUTED THIAZOLIDE COMPOUNDS HAVCR2, EIF2AK2, AADAC TOP1 3011/4885RAB9A 1694/4885SMN1; SMN2 3410/4885

“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.