SCHEMBL4587141

SCHEMBL4587141

CC(=O)c1ccc(-c2ccc(F)c(F)c2F)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B1 P14061 2/20 0.49
PTGS1 P23219 1/20 0.47
MAPT P10636 3/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
KIF11 P52732 1/20 0.46
HDAC6 Q9UBN7 2/20 0.41
MAOB P27338 2/20 0.41
NOS3 P29474 2/20 0.40
NOS1 P29475 2/20 0.40
HDAC3 O15379 1/20 0.40
HDAC1 Q13547 1/20 0.40
HDAC2 Q92769 1/20 0.40
HDAC8 Q9BY41 1/20 0.40
MAOA P21397 1/20 0.40
HPGD P15428 2/20 0.39
RAB9A P51151 2/20 0.39
LMNA P02545 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
KMT2A Q03164 1/20 0.39
CES2 O00748 1/20 0.39

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
SCHEMBL5065165 0.83 BCL2L1 (0.53) HDAC6HDAC3HDAC1HDAC2HDAC8
SCHEMBL11314219 0.76 PTGS1 (0.54) HSD17B1PTGS1MAPTSMN1; SMN2KIF11
SCHEMBL10436026 0.76 MAOB (0.55) HSD17B1PTGS1MAPTSMN1; SMN2KIF11
SCHEMBL30747689 0.76 MAOB (0.55) HSD17B1PTGS1MAPTSMN1; SMN2KIF11
SCHEMBL6191307 0.76 MAPT (0.62) HSD17B1PTGS1MAPTSMN1; SMN2KIF11
SCHEMBL2555397 0.75 MAPT (0.48) HSD17B1PTGS1MAPTSMN1; SMN2KIF11
SCHEMBL2559215 0.75 RARB (0.59) HSD17B1PTGS1MAPTSMN1; SMN2KIF11
SCHEMBL13864591 0.75 HSD17B1 (0.68) HSD17B1PTGS1MAPTSMN1; SMN2KIF11
SCHEMBL22926305 0.75 FASN (0.51) HSD17B1PTGS1MAPTSMN1; SMN2KIF11
SCHEMBL10925015 0.75 HSD17B1 (0.54) HSD17B1PTGS1MAPTSMN1; SMN2KIF11

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7320982-B2 Use of 4-substituted tetrahydropyridines for the manufacture of medicaments acting upon TGF-β 1 SANOFI-AVENTIS (FR) 2008-01-22 US disclosed
US-20070054931-A1 PREPARATION OF BENZOYLALKYL-1,2,3,6-TETRAHYDROPYRIDINES AND USE THEREOF SANOFI-AVENTIS (FR) 2007-03-08 US disclosed
US-7151107-B2 Use of benzoylalkyl-1,2,3,6-tetrahydropyridines SANOFI-AVENTIS (FR) 2006-12-19 US disclosed
US-20050222187-A1 Use of benzoylalkyl-1,2,3,6-tetrahydropyridines SANOFI-AVENTIS (FR) 2005-10-06 US disclosed
US-6936621-B2 Use of benzoylalkyl-1,2,3,6-tetrahydropyridines SANOFI-AVENTIS (FR) 2005-08-30 US disclosed
US-20040157868-A1 Use of 4-substituted tetrahydropyridines for the manufacture of medicaments acting upon TGF-beta 1 SANOFI-AVENTIS (FR) 2004-08-12 US disclosed
US-20040122032-A1 Use of benzoylalkyl-1,2,3,6-tetrahydropyridines SANOFI-AVENTIS (FR) 2004-06-24 US disclosed
EP-0979079-B1 USE OF TETRAHYDROPYRIDINE DERIVATIVES TO PREPARE MEDICINES FOR TREATING DISEASES CAUSING DEMYELINATION SANOFI SYNTHELABO (FR) 2004-06-16 EP disclosed
US-6693118-B2 E.G., 1-(2-(6,7-METHYLENEDIOXYNAPHTH-2-YL)-ETHYL)-4-(3-TRIFLUOROMETHYLPHENYL)-1,2,3,6-TETRAHYDROPYRIDINE AND 1-2-(4-CYCLOHEXENYLPHENYL)-ETHYL)-4-(3-TRIFLUOROMETHYLPHENYL)-1,2,3,6 -TETRAHYDROPYRIDINE; apoptosis inhibition; treatment of graft rejection or of acute or chronic rheumatoid arthritis SANOFI-SYNTHELABO (FR) 2004-02-17 US disclosed
EP-1017385-B1 USE OF 4-SUBSTITUTED TETRAHYDROPYRIDINES FOR MAKING MEDICINES ACTING ON TGF-beta 1 SANOFI SYNTHELABO (FR) 2003-07-16 EP disclosed
EP-0950053-B1 NEW DERIVATIVES OF BENZOYLALKYL-1,2,3,6-TETRAHYDROPYRIDINS SANOFI SYNTHELABO (FR) 2003-06-11 EP disclosed
US-20020091143-A1 Use of 4-substituted tetrahydropyridines for the manufacture of medicament s acting upon TGF-beta 1 SANOFI-AVENTIS (FR) 2002-07-11 US disclosed
US-6358965-B1 THERAPY AND/OR PROPHYLAXIS OF DISEASES WHICH INVOLVE NEURONAL DEGENERATION BY ADMINISTERING BENZOYL-1,2,3,6-TETRAHYDROPYRIDINES COMPOUND SANOFI-SYNTHELABO (FR) 2002-03-19 US disclosed
EP-1017385-A1 USE OF 4-SUBSTITUTED TETRAHYDROPYRIDINES FOR MAKING MEDICINES ACTING ON TGF-beta 1 SANOFI-SYNTHELABO (FR) 2000-07-12 EP disclosed
EP-0979079-A1 USE OF TETRAHYDROPYRIDINE DERIVATIVES TO PREPARE MEDICINES FOR TREATING DISEASES CAUSING DEMYELINATION SANOFI-SYNTHELABO (FR) 2000-02-16 EP disclosed
EP-0950053-A1 USE OF BENZOYLALKYL-1,2,3,6-TETRAHYDROPYRIDINS SANOFI (FR) 1999-10-20 EP disclosed
WO-1998053821-A1 USE OF 4-SUBSTITUTED TETRAHYDROPYRIDINES FOR MAKING MEDICINES ACTING ON TGF-β1 SANOFI-SYNTHELABO (FR) 1998-12-03 WO disclosed
WO-1998048802-A1 USE OF TETRAHYDROPYRIDINE DERIVATIVES TO PREPARE MEDICINES FOR TREATING DISEASES CAUSING DEMYELINATION SANOFI-SYNTHELABO (FR) 1998-11-05 WO disclosed
WO-1998028274-A1 USE OF BENZOYLALKYL-1,2,3,6-TETRAHYDROPYRIDINS SANOFI (FR) 1998-07-02 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 (5 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-20020091143-A1 Use of 4-substituted tetrahydropyridines for the manufacture of medicament s acting upon TGF-beta 1 TGFB1, TGFBR1, TGFB2 HSD17B1 2993/4885PTGS1 25/4885MAPT 1010/4885
US-20040122032-A1 Use of benzoylalkyl-1,2,3,6-tetrahydropyridines KCNH1, KCNJ2, CACNA1B HSD17B1 2880/4885PTGS1 295/4885MAPT 388/4885
US-20070054931-A1 PREPARATION OF BENZOYLALKYL-1,2,3,6-TETRAHYDROPYRIDINES AND USE THEREOF BDNF, KCNH1, GABRA6 HSD17B1 3557/4885PTGS1 290/4885MAPT 310/4885
US-20050222187-A1 Use of benzoylalkyl-1,2,3,6-tetrahydropyridines KCNH1, ATP6V1B2, KCNJ6 HSD17B1 3220/4885PTGS1 331/4885MAPT 296/4885
US-20040157868-A1 Use of 4-substituted tetrahydropyridines for the manufacture of medicaments acting upon TGF-beta 1 TGFB1, TGFBR1, TGFB2 HSD17B1 3004/4885PTGS1 26/4885MAPT 1139/4885

“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.