SCHEMBL604118

SCHEMBL604118

NC(=S)NNC(=O)Cc1cc(F)cc(F)c1

nearest known ligand 0.48

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MAPK8 P45983 2/20 0.48
KMT2A Q03164 2/20 0.43
MEN1 O00255 1/20 0.43
GAA P10253 5/20 0.39
ATM Q13315 1/20 0.39
LMNA P02545 1/20 0.38
SIGMAR1 Q99720 1/20 0.38
SMYD3 Q9H7B4 1/20 0.38
IDO1 P14902 2/20 0.37
KCNQ3 O43525 1/20 0.36
KCNQ2 O43526 1/20 0.36

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
SCHEMBL11829335 0.84 MAPK8 (0.53) MAPK8KMT2AMEN1GAASIGMAR1
SCHEMBL600783 0.83 GAA (0.54) MAPK8KMT2AGAALMNA
SCHEMBL21981007 0.80 MEN1 (0.50) MAPK8KMT2AMEN1GAASIGMAR1
SCHEMBL964757 0.76 MAPK8 (0.50) MAPK8KMT2AMEN1GAASIGMAR1
SCHEMBL23063305 0.75 NLRP3 (0.42) KMT2AGAAATM
SCHEMBL3729853 0.75 GAA (0.63) KMT2AMEN1GAAATMLMNA
SCHEMBL604117 0.75 MAPK8 (0.43) MAPK8KMT2AMEN1GAALMNA
SCHEMBL15145921 0.74 GAA (0.57) KMT2AMEN1GAALMNASIGMAR1
SCHEMBL14109100 0.73 IDO1 (0.43) MAPK8KMT2AMEN1IDO1
SCHEMBL1115062 0.73 CA2 (0.46) MAPK8KMT2AMEN1IDO1

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-2391611-B1 THIADIAZOLE AND OXADIAZOLE DERIVATIVES, PREPARATION THEREOF, AND THERAPEUTIC USE THEREOF SANOFI SA (FR) 2014-04-30 EP disclosed
US-8546391-B2 Thiadiazole and oxadiazole derivatives, preparation thereof and therapeutic use thereof SANOFI (FR) 2013-10-01 US disclosed
US-20120040984-A1 THIADIAZOLE AND OXADIAZOLE DERIVATIVES, PREPARATION THEREOF AND THERAPEUTIC USE THEREOF SANOFI (FR) 2012-02-16 US disclosed
EP-2391611-A1 THIADIAZOLE AND OXADIAZOLE DERIVATIVES, PREPARATION THEREOF, AND THERAPEUTIC USE THEREOF SANOFI (FR) 2011-12-07 EP disclosed
WO-2010086551-A1 THIADIAZOLE AND OXADIAZOLE DERIVATIVES, PREPARATION THEREOF, AND THERAPEUTIC USE THEREOF SANOFI-AVENTIS (FR) 2010-08-05 WO 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-20120040984-A1 THIADIAZOLE AND OXADIAZOLE DERIVATIVES, PREPARATION THEREOF AND THERAPEUTIC USE THEREOF OXA1L, CYP11B2, CYP11B1 MAPK8 2715/4885KMT2A 4146/4885MEN1 1432/4885

“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.