SCHEMBL5041185

SCHEMBL5041185

CCc1ccc(CC(=O)c2ccc(Cl)cc2)cc1

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 4/20 0.74
NPC1 O15118 3/20 0.74
L3MBTL1 Q9Y468 3/20 0.74
MAPT P10636 3/20 0.68
CYP2C9 P11712 1/20 0.59
CYP2C19 P33261 1/20 0.59
ALDH1A1 P00352 3/20 0.55
GAA P10253 3/20 0.55
LMNA P02545 2/20 0.55
POLB P06746 2/20 0.55
AGTR1 P30556 1/20 0.55
GSK3B P49841 2/20 0.52
MAPK1 P28482 2/20 0.50
NLRP1 Q9C000 1/20 0.50
PIK3CA P42336 2/20 0.49
MEN1 O00255 1/20 0.49
CYP3A4 P08684 1/20 0.49
HPGD P15428 1/20 0.49
KMT2A Q03164 1/20 0.49
CBX7 O95931 1/20 0.48

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
SCHEMBL1753283 0.90 RAB9A (0.85) RAB9ANPC1L3MBTL1MAPTALDH1A1
SCHEMBL12566040 0.90 ALDH1A1 (0.61) RAB9ANPC1L3MBTL1MAPTCYP2C9
SCHEMBL6204395 0.85 RAB9A (0.74) RAB9ANPC1L3MBTL1MAPTALDH1A1
SCHEMBL9262872 0.85 RAB9A (0.74) RAB9ANPC1L3MBTL1MAPTCYP2C9
SCHEMBL6199337 0.85 RAB9A (1.00) RAB9ANPC1L3MBTL1MAPTALDH1A1
SCHEMBL6224695 0.85 RAB9A (1.00) RAB9ANPC1L3MBTL1MAPTALDH1A1
SCHEMBL25244126 0.84 NPC1 (0.68) RAB9ANPC1L3MBTL1MAPTALDH1A1
SCHEMBL9788856 0.84 NPC1 (0.68) RAB9ANPC1L3MBTL1MAPTALDH1A1
SCHEMBL10649146 0.83 RAB9A (1.00) RAB9ANPC1L3MBTL1MAPTCYP2C19
SCHEMBL1393818 0.83 L3MBTL1 (0.76) RAB9ANPC1L3MBTL1MAPTALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1567498-B1 MANDELIC ACID DERIVATIVES HOFFMANN LA ROCHE (CH) 2008-01-23 EP disclosed
EP-1633354-B1 N-(((((1,3-THIAZOL-2-YL)AMINO)CARBONYL)PHENYL)SULFONYL)PHENYLALANINE DERIVATIVES AND RELATED COMPOUNDS FOR THE TREATMENT OF DIABETES INST FOR PHARM DISCOVERY INC (US) 2008-01-23 EP disclosed
EP-1633354-B1 N-(((((1,3-THIAZOL-2-YL)AMINO)CARBONYL)PHENYL)SULFONYL)PHENYLALANINE DERIVATIVES AND RELATED COMPOUNDS FOR THE TREATMENT OF DIABETES INST FOR PHARM DISCOVERY INC (US) 2008-01-23 EP disclosed
US-7129238-B2 Mandelic acid derivatives HOFFMANN-LA ROCHE INC. (US) 2006-10-31 US disclosed
EP-1633354-A2 N-(((((1,3-THIAZOL-2-YL)AMINO)CARBONYL)PHENYL)SULFONYL)PHENYLALANINE DERIVATIVES AND RELATED COMPOUNDS FOR THE TREATMENT OF DIABETES The Institutes for Pharmaceutical Discovery, LLC (US) 2006-03-15 EP disclosed
EP-1567498-A2 MANDELIC ACID DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2005-08-31 EP disclosed
US-20040248937-A1 Substituted phenylalkanoic acids for the treatment of diabetes THE INSTITUTE FOR PHARMACEUTICAL DISCOVERY LLC 2004-12-09 US disclosed
WO-2004092146-A2 N- (((((1,3-THIAZOL-2-YL) AMINO) CARBONYL) PHENYL) SULFONYL) PHENYLALANINE DERIVATIVES AND RELATED COMPOUNDS FOR THE TREATMENT OF DIABETES THE INSTITUTES FOR PHARMACEUTICAL DISCOVERY, LLC (US) 2004-10-28 WO disclosed
US-20040122057-A1 Novel mandelic acid derivatives HOFFMANN-LA ROCHE INC. 2004-06-24 US disclosed
WO-2004048335-A2 MANDELIC ACID DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2004-06-10 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 (2 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-20040122057-A1 Novel mandelic acid derivatives F7, F11, F9 RAB9A 124/4885NPC1 3616/4885L3MBTL1 1475/4885
US-20040248937-A1 Substituted phenylalkanoic acids for the treatment of diabetes PTP4A1, PTPRJ, PPM1B RAB9A 2316/4885NPC1 720/4885L3MBTL1 3550/4885

“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.