SCHEMBL604117

SCHEMBL604117

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

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK8 P45983 1/20 0.43
KMT2A Q03164 3/20 0.42
MEN1 O00255 2/20 0.42
GAA P10253 4/20 0.40
SIGMAR1 Q99720 1/20 0.37
KDM4E B2RXH2 1/20 0.37
XBP1 P17861 1/20 0.37
ALOX12 P18054 1/20 0.37
MAPT P10636 2/20 0.37
SMYD3 Q9H7B4 1/20 0.37
ALDH1A1 P00352 2/20 0.36
LMNA P02545 1/20 0.36
IDO1 P14902 2/20 0.36
CYP1A2 P05177 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
KCNQ3 O43525 1/20 0.35
KCNQ2 O43526 1/20 0.35
CA12 O43570 1/20 0.34

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
SCHEMBL964757 0.82 MAPK8 (0.50) MAPK8KMT2AMEN1GAASIGMAR1
SCHEMBL15145921 0.76 GAA (0.57) KMT2AMEN1GAASIGMAR1KDM4E
SCHEMBL604118 0.75 MAPK8 (0.48) MAPK8KMT2AMEN1GAASIGMAR1
SCHEMBL5764496 0.72 SMYD3 (0.50) MAPK8KMT2AMEN1SMYD3
SCHEMBL13329774 0.71 KMT2A (0.53) MAPK8KMT2AMEN1GAASIGMAR1
SCHEMBL14817526 0.69 SIGMAR1 (0.47) MAPK8KMT2AMEN1GAASIGMAR1
SCHEMBL2748263 0.68 MEN1 (0.46) MAPK8KMT2AMEN1GAASIGMAR1
SCHEMBL21981007 0.68 MEN1 (0.50) MAPK8KMT2AMEN1GAASIGMAR1
SCHEMBL14839502 0.68 GAA (0.54) KMT2AMEN1GAAKDM4EALDH1A1
SCHEMBL19224661 0.68 MAPK8 (0.39) MAPK8KMT2AMEN1LMNACYP1A2

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.