SCHEMBL2959879

SCHEMBL2959879

Cc1cscc1NC(=S)Nc1cc(F)ccc1N

nearest known ligand 0.42

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.42
CACNA1B Q00975 1/20 0.42
APBA1 Q02410 1/20 0.42
HDAC1 Q13547 3/20 0.41
NPC1 O15118 1/20 0.41
HDAC2 Q92769 2/20 0.39
KMT2A Q03164 2/20 0.39
GAA P10253 2/20 0.38
MEN1 O00255 1/20 0.38
NOX1 Q9Y5S8 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
SCHEMBL4576401 0.89 ALDH1A1 (0.48) ALDH1A1CACNA1BAPBA1HDAC1NPC1
SCHEMBL2959960 0.81 ALDH1A1 (0.40) ALDH1A1CACNA1BAPBA1NPC1KMT2A
SCHEMBL2958478 0.80 NPSR1 (0.43) ALDH1A1HDAC1HDAC2KMT2AMEN1
SCHEMBL5635601 0.79 MAPT (0.42) ALDH1A1NPC1KMT2AGAAMEN1
SCHEMBL2951160 0.77 MAPT (0.37) ALDH1A1CACNA1BAPBA1NPC1KMT2A
SCHEMBL2951453 0.75 ALDH1A1 (0.43) ALDH1A1CACNA1BAPBA1HDAC1KMT2A
SCHEMBL2950804 0.73 MAPT (0.36) ALDH1A1CACNA1BAPBA1
SCHEMBL2947686 0.73 ALDH1A1 (0.51) ALDH1A1NPC1GAA
SCHEMBL2951297 0.72 ALDH1A1 (0.43) ALDH1A1NPC1KMT2AGAAMEN1
SCHEMBL2953712 0.72 POLB (0.45) ALDH1A1CACNA1BAPBA1HDAC1NPC1

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 11 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8653259-B2 Process for synthesizing heterocyclic compounds SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2014-02-18 US disclosed
US-7763643-B2 Substituted thiophenes: compositions, processes of making, and uses in disease treatment and diagnosis SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2010-07-27 US disclosed
US-20090137630-A1 SUBSTITUTED THIOPHENES: COMPOSITIONS, PROCESSES OF MAKING, AND USES IN DISEASE TREATMENT AND DIAGNOSIS SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2009-05-28 US disclosed
US-7488746-B2 Substituted thiophenes: compositions, processes of making, and uses in disease treatment and diagnosis SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2009-02-10 US disclosed
US-20080146797-A1 PROCESS FOR SYNTHESIZING HETEROCYCLIC COMPOUNDS SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2008-06-19 US disclosed
US-20080070947-A1 SUBSTITUTED THIOPHENES: COMPOSITIONS, PROCESSES OF MAKING, AND USES IN DISEASE TREATMENT AND DIAGNOSIS SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2008-03-20 US disclosed
US-7317033-B2 Substituted thiophenes: compositions, processes of making, and uses in disease treatment and diagnosis SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2008-01-08 US disclosed
US-20060160873-A1 Substituted thiophenes: compositions, processes of making, and uses in disease treatment and diagnosis SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2006-07-20 US disclosed
US-7049333-B2 Substituted thiophenes: compositions, processes of making, and uses in disease treatment and diagnosis SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2006-05-23 US disclosed
US-20040242560-A1 Process for synthesizing heterocyclic compounds AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2004-12-02 US disclosed
US-20040006119-A1 Substituted thiophenes: compositions, processes of making, and uses in disease treatment and diagnosis AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2004-01-08 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 (6 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-20090137630-A1 SUBSTITUTED THIOPHENES: COMPOSITIONS, PROCESSES OF MAKING, AND USES IN DISEASE TREATMENT AND DIAGNOSIS PLAT, CPS1, TST ALDH1A1 429/4885CACNA1B 2920/4885APBA1 1505/4885
US-20040006119-A1 Substituted thiophenes: compositions, processes of making, and uses in disease treatment and diagnosis TST, GOT2, ALPP ALDH1A1 386/4885CACNA1B 3033/4885APBA1 1822/4885
US-20080070947-A1 SUBSTITUTED THIOPHENES: COMPOSITIONS, PROCESSES OF MAKING, AND USES IN DISEASE TREATMENT AND DIAGNOSIS PLAT, TST, PNLIP ALDH1A1 400/4885CACNA1B 3162/4885APBA1 1647/4885
US-20080146797-A1 PROCESS FOR SYNTHESIZING HETEROCYCLIC COMPOUNDS TST, NISCH, CLIC4 ALDH1A1 406/4885CACNA1B 1508/4885APBA1 2307/4885
US-20060160873-A1 Substituted thiophenes: compositions, processes of making, and uses in disease treatment and diagnosis PLAT, TST, PNLIP ALDH1A1 400/4885CACNA1B 3162/4885APBA1 1647/4885
US-20040242560-A1 Process for synthesizing heterocyclic compounds TST, NISCH, CLIC4 ALDH1A1 317/4885CACNA1B 1066/4885APBA1 2061/4885

“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.