SCHEMBL2953663

SCHEMBL2953663

Cc1cscc1NC(=S)Nc1cc(C(F)(F)F)cc(Cl)c1N

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 15/20 0.43
MAPT P10636 4/20 0.43
GAA P10253 7/20 0.41
HTT P42858 6/20 0.41
SMN1; SMN2 Q16637 4/20 0.41
LMNA P02545 3/20 0.41
AGTR1 P30556 3/20 0.41
ALOX12 P18054 1/20 0.41
TDP1 Q9NUW8 3/20 0.40
CYP1A2 P05177 2/20 0.39
MEN1 O00255 4/20 0.36
KMT2A Q03164 4/20 0.36
POLB P06746 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2D6 P10635 1/20 0.36
CYP2C9 P11712 1/20 0.36
XBP1 P17861 1/20 0.36
CYP2C19 P33261 1/20 0.36
NOD2 Q9HC29 1/20 0.36
KCNH2 Q12809 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
SCHEMBL6816683 0.76 ALDH1A1 (0.52) ALDH1A1MAPTGAAHTTSMN1; SMN2
SCHEMBL2959759 0.76 LMNA (0.48) ALDH1A1MAPTGAAHTTLMNA
SCHEMBL2951160 0.75 MAPT (0.37) ALDH1A1MAPTGAAHTTSMN1; SMN2
SCHEMBL6816676 0.71 ALDH1A1 (0.46) ALDH1A1MAPTSMN1; SMN2LMNACYP1A2
SCHEMBL2950804 0.69 MAPT (0.36) ALDH1A1MAPTLMNAL3MBTL1
SCHEMBL531609 0.68 GABRB3 (0.41) ALDH1A1SMN1; SMN2TDP1CYP1A2POLB
SCHEMBL31345997 0.68 GABRB3 (0.41) ALDH1A1SMN1; SMN2TDP1CYP1A2POLB
SCHEMBL2951453 0.68 ALDH1A1 (0.43) ALDH1A1MAPTGAASMN1; SMN2LMNA
SCHEMBL4576401 0.68 ALDH1A1 (0.48) ALDH1A1MAPTGAASMN1; SMN2MEN1
SCHEMBL2959879 0.68 ALDH1A1 (0.42) ALDH1A1GAAMEN1KMT2ANPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-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-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 (4 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 429/4885MAPT 3886/4885GAA 1161/4885
US-20040006119-A1 Substituted thiophenes: compositions, processes of making, and uses in disease treatment and diagnosis TST, GOT2, ALPP ALDH1A1 386/4885MAPT 3261/4885GAA 797/4885
US-20080070947-A1 SUBSTITUTED THIOPHENES: COMPOSITIONS, PROCESSES OF MAKING, AND USES IN DISEASE TREATMENT AND DIAGNOSIS PLAT, TST, PNLIP ALDH1A1 400/4885MAPT 3447/4885GAA 758/4885
US-20060160873-A1 Substituted thiophenes: compositions, processes of making, and uses in disease treatment and diagnosis PLAT, TST, PNLIP ALDH1A1 400/4885MAPT 3447/4885GAA 758/4885

“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.