SCHEMBL3625604

SCHEMBL3625604

COC(=O)c1cccc(CC(C)=O)c1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LOXL2 Q9Y4K0 2/20 0.68
CYP4F2 P78329 2/20 0.66
CYP4A11 Q02928 2/20 0.66
SLC7A5 Q01650 1/20 0.61
MRGPRX4 Q96LA9 2/20 0.54
ALDH1A1 P00352 2/20 0.52
SMN1; SMN2 Q16637 2/20 0.52
RAB9A P51151 2/20 0.52
KDM4E B2RXH2 1/20 0.52
MAPT P10636 1/20 0.52
HIF1A Q16665 1/20 0.51
TSHR P16473 1/20 0.50
FOLH1 Q04609 1/20 0.50
HPGD P15428 1/20 0.50
MEN1 O00255 1/20 0.49
NPC1 O15118 1/20 0.49
KMT2A Q03164 1/20 0.49
ABHD6 Q9BV23 1/20 0.48
HTT P42858 1/20 0.48
POLB P06746 1/20 0.47

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
SCHEMBL27983598 0.90 LOXL2 (0.59) LOXL2CYP4F2CYP4A11SLC7A5MRGPRX4
SCHEMBL2964543 0.86 LOXL2 (0.68) LOXL2CYP4F2CYP4A11SLC7A5MRGPRX4
SCHEMBL1492405 0.86 LOXL2 (0.68) LOXL2CYP4F2CYP4A11SLC7A5MRGPRX4
SCHEMBL4237927 0.85 LOXL2 (0.71) LOXL2CYP4F2CYP4A11SLC7A5MRGPRX4
SCHEMBL1492354 0.85 LOXL2 (0.66) LOXL2CYP4F2CYP4A11SLC7A5MRGPRX4
SCHEMBL13679016 0.84 LOXL2 (0.49) LOXL2CYP4F2CYP4A11SLC7A5MRGPRX4
SCHEMBL70173 0.84 CYP4F2 (0.83) LOXL2CYP4F2CYP4A11SLC7A5MRGPRX4
SCHEMBL126284 0.84 LOXL2 (0.74) LOXL2CYP4F2CYP4A11SLC7A5MRGPRX4
SCHEMBL14331821 0.83 CYP4F2 (0.71) LOXL2CYP4F2CYP4A11SLC7A5MRGPRX4
SCHEMBL7149403 0.83 CA12 (0.58) LOXL2CYP4F2CYP4A11SLC7A5MAPT

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 33 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140135331-A9 THIAZOLE AND THIADIAZOLE COMPOUNDS FOR INFLAMMATION AND IMMUNE-RELATED USES SYNTA PHARMACEUTICALS CORP. (US) 2014-05-15 US disclosed
US-20140135331-A9 THIAZOLE AND THIADIAZOLE COMPOUNDS FOR INFLAMMATION AND IMMUNE-RELATED USES SYNTA PHARMACEUTICALS CORP. (US) 2014-05-15 US disclosed
US-8455658-B2 Thiazole and thiadiazole compounds for inflammation and immune-related uses SYNTA PHARMACEUTICALS CORP. (US) 2013-06-04 US disclosed
US-8455658-B2 Thiazole and thiadiazole compounds for inflammation and immune-related uses SYNTA PHARMACEUTICALS CORP. (US) 2013-06-04 US disclosed
EP-1730103-B1 FORMAMIDE DERIVATIVES USEFUL AS ADRENOCEPTOR PFIZER LTD (GB) 2010-05-26 EP disclosed
US-7629358-B2 Compounds useful for the treatment of diseases PFIZER INC (US) 2009-12-08 US disclosed
US-7629358-B2 Compounds useful for the treatment of diseases PFIZER INC (US) 2009-12-08 US disclosed
US-7547731-B2 Formamide derivatives for the treatment of diseases PFIZER INC (US) 2009-06-16 US disclosed
US-7547731-B2 Formamide derivatives for the treatment of diseases PFIZER INC (US) 2009-06-16 US disclosed
US-7547731-B2 Formamide derivatives for the treatment of diseases PFIZER INC (US) 2009-06-16 US disclosed
US-7241810-B2 Formamide derivatives for the treatment of diseases PFIZER INC (US) 2007-07-10 US disclosed
US-7241810-B2 Formamide derivatives for the treatment of diseases PFIZER INC (US) 2007-07-10 US disclosed
EP-1730103-A1 FORMAMIDE DERIVATIVES USEFUL AS ADRENOCEPTOR Pfizer Limited (GB) 2006-12-13 EP disclosed
WO-2005092840-A1 FORMAMIDE DERIVATIVES USEFUL AS ADRENOCEPTOR PFIZER LIMITED (GB) 2005-10-06 WO disclosed
US-20050215590-A1 Formamide derivatives for the treatment of diseases PFIZER LIMITED (GB) 2005-09-29 US disclosed
US-4753962-A HYPOGLYCEMIC, ANTIOBESITY AGENT BEECHAM GROUP P.L.C. (GB) 1988-06-28 US disclosed
US-4654371-A ANTI-OBESITY, HYPOGLYCEMIA AGENTS BEECHAM GROUP P.L.C. (GB) 1987-03-31 US disclosed
US-4478849-A HYPERGLYCEMIC AGENTS BEECHAM GROUP LIMITED (GB) 1984-10-23 US disclosed
EP-0006735-B1 SECONDARY AMINES, THEIR PREPARATION, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM AND THEIR USE BEECHAM GROUP PLC (GB) 1983-06-15 EP disclosed
EP-0006735-A1 Secondary amines, their preparation, pharmaceutical compositions containing them and their use BEECHAM GROUP PLC (GB) 1980-01-09 EP 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-20140135331-A9 THIAZOLE AND THIADIAZOLE COMPOUNDS FOR INFLAMMATION AND IMMUNE-RELATED USES CXCR1, NLRP3, NLRP1 LOXL2 580/4885CYP4F2 1069/4885CYP4A11 475/4885
US-20050215590-A1 Formamide derivatives for the treatment of diseases FH, FAH, HRH4 LOXL2 3240/4885CYP4F2 130/4885CYP4A11 363/4885

“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.