SCHEMBL4756645

SCHEMBL4756645

CC(=O)Oc1cc(C)c(Cl)cc1C(=O)Nc1ncc(S(C)(=O)=O)s1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 4/20 0.41
RAB9A P51151 4/20 0.41
ALDH1A1 P00352 3/20 0.41
MEN1 O00255 3/20 0.41
KMT2A Q03164 3/20 0.41
NPSR1 Q6W5P4 2/20 0.41
LMNA P02545 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
MLNR O43193 1/20 0.41
NR1I2 O75469 1/20 0.41
ABCB11 O95342 1/20 0.41
TP53 P04637 1/20 0.41
ADRB2 P07550 1/20 0.41
CHRM2 P08172 1/20 0.41
ADRB1 P08588 1/20 0.41
CYP3A4 P08684 1/20 0.41
ADRA2A P08913 1/20 0.41
ADORA3 P0DMS8 1/20 0.41
MAPT P10636 1/20 0.41
CHRM1 P11229 1/20 0.41

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
SCHEMBL10114566 0.87 ALDH1A1 (0.45) NPC1RAB9AALDH1A1MEN1KMT2A
SCHEMBL4757200 0.86 FFAR2 (0.47) NPC1RAB9AALDH1A1MEN1KMT2A
SCHEMBL10114545 0.84 SCN9A (0.41) NPC1RAB9AALDH1A1MEN1KMT2A
SCHEMBL4757204 0.83 FFAR2 (0.44) NPC1RAB9ASMN1; SMN2FFAR2RXFP1
SCHEMBL10114349 0.80 FFAR2 (0.43) NPC1RAB9AALDH1A1MEN1KMT2A
SCHEMBL10114380 0.80 ALDH1A1 (0.52) NPC1RAB9AALDH1A1MEN1KMT2A
SCHEMBL10114555 0.80 FFAR2 (0.44) NPC1RAB9AALDH1A1MEN1KMT2A
SCHEMBL705921 0.79 ALDH1A1 (0.64) NPC1RAB9AALDH1A1MEN1KMT2A
SCHEMBL10114334 0.79 ALDH1A1 (0.53) NPC1RAB9AALDH1A1MEN1KMT2A
SCHEMBL10114537 0.79 RAB9A (0.41) NPC1RAB9AALDH1A1MEN1KMT2A

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-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
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 NPC1 585/4885RAB9A 1694/4885ALDH1A1 1605/4885
US-20090036467-A1 ALKYLSULFONYL-SUBSTITUTED THIAZOLIDE COMPOUNDS HAVCR2, EIF2AK2, AADAC NPC1 585/4885RAB9A 1694/4885ALDH1A1 1605/4885

“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.