SCHEMBL10114130

SCHEMBL10114130

CC(=O)Oc1c(C(=O)Nc2ncc(S(C)(=O)=O)s2)ccc(C(F)(F)F)c1C

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FFAR2 O15552 1/20 0.40
NPC1 O15118 4/20 0.38
RAB9A P51151 4/20 0.38
MEN1 O00255 3/20 0.38
KMT2A Q03164 3/20 0.38
ALDH1A1 P00352 3/20 0.38
STAT3 P40763 3/20 0.38
LMNA P02545 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
MAPT P10636 2/20 0.38
MLNR O43193 1/20 0.38
NR1I2 O75469 1/20 0.38
ABCB11 O95342 1/20 0.38
TP53 P04637 1/20 0.38
ADRB2 P07550 1/20 0.38
CHRM2 P08172 1/20 0.38
ADRB1 P08588 1/20 0.38
CYP3A4 P08684 1/20 0.38
ADRA2A P08913 1/20 0.38
ADORA3 P0DMS8 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
SCHEMBL4756608 0.87 ALDH1A1 (0.41) FFAR2NPC1RAB9AMEN1KMT2A
SCHEMBL10114726 0.87 NPC1 (0.37) NPC1RAB9AMEN1KMT2AALDH1A1
SCHEMBL4755812 0.81 ALDH1A1 (0.46) FFAR2NPC1RAB9AMEN1KMT2A
SCHEMBL10114229 0.80 USP2 (0.38) NPC1RAB9AMEN1KMT2AALDH1A1
SCHEMBL4756649 0.80 FFAR2 (0.44) FFAR2NPC1RAB9AMEN1KMT2A
SCHEMBL10114354 0.78 FFAR2 (0.44) FFAR2NPC1RAB9AMEN1KMT2A
SCHEMBL4756609 0.77 ALDH1A1 (0.44) FFAR2NPC1RAB9AMEN1KMT2A
SCHEMBL10114537 0.76 RAB9A (0.41) FFAR2NPC1RAB9AMEN1KMT2A
SCHEMBL10114334 0.76 ALDH1A1 (0.53) FFAR2NPC1RAB9AMEN1KMT2A
SCHEMBL4756653 0.75 POLB (0.40) FFAR2NPC1RAB9AMEN1KMT2A

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 5 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-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 (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-20090036467-A1 ALKYLSULFONYL-SUBSTITUTED THIAZOLIDE COMPOUNDS HAVCR2, EIF2AK2, AADAC FFAR2 4045/4885NPC1 585/4885RAB9A 1694/4885

“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.