SCHEMBL3560486

SCHEMBL3560486

CCOC(=O)c1cccc(NS(C)(=O)=O)c1

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 4/20 0.73
HPGD P15428 2/20 0.68
RECQL P46063 1/20 0.68
SMN1; SMN2 Q16637 6/20 0.64
LMNA P02545 2/20 0.64
ALDH1A1 P00352 3/20 0.63
KMT2A Q03164 2/20 0.59
TSHR P16473 1/20 0.59
RAB9A P51151 5/20 0.58
NPC1 O15118 4/20 0.58
KDM4E B2RXH2 1/20 0.58
CYP1A2 P05177 1/20 0.56
CYP2C9 P11712 1/20 0.56
CYP2C19 P33261 1/20 0.56
PKM P14618 1/20 0.56
CA12 O43570 1/20 0.56
CA1 P00915 1/20 0.56
CA2 P00918 1/20 0.56
CA9 Q16790 1/20 0.56
MAPT P10636 4/20 0.55

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
SCHEMBL4823240 0.88 HPGD (0.68) POLBHPGDSMN1; SMN2LMNAALDH1A1
SCHEMBL134279 0.87 SMN1; SMN2 (0.62) POLBHPGDSMN1; SMN2LMNAALDH1A1
SCHEMBL27183334 0.86 SMN1; SMN2 (0.65) POLBHPGDSMN1; SMN2LMNAALDH1A1
SCHEMBL22225675 0.85 HPGD (0.68) POLBHPGDRECQLSMN1; SMN2LMNA
SCHEMBL856142 0.85 SMN1; SMN2 (0.60) POLBHPGDSMN1; SMN2LMNAALDH1A1
SCHEMBL8301733 0.85 SMN1; SMN2 (0.60) POLBHPGDSMN1; SMN2LMNAALDH1A1
SCHEMBL29582937 0.84 POLB (1.00) POLBHPGDSMN1; SMN2LMNAALDH1A1
SCHEMBL4186439 0.84 POLB (1.00) POLBHPGDSMN1; SMN2LMNAALDH1A1
SCHEMBL1726857 0.83 LMNA (0.76) POLBSMN1; SMN2LMNAKMT2ATSHR
SCHEMBL691809 0.83 SMN1; SMN2 (0.59) POLBHPGDSMN1; SMN2LMNAALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101970420-A Oxadiazole derivatives MERCK SERONO SA 2011-02-09 CN disclosed
US-7645786-B2 1-aryl-4-cyclopropylpyrazoles with at least one fluorine attached to the cyclopropyl ring; parasiticides; fleas; extended duration of action for at least 28 days PFIZER INC. (US) 2010-01-12 US disclosed
CN-101600696-A The arylpyrazole that replaces PFIZER LTD (GB) 2009-12-09 CN disclosed
US-7442704-B2 Amide derivatives ASTRAZENECA AB (SE) 2008-10-28 US disclosed
US-20080176865-A1 SUBSTITUTED ARYLPYRAZOLES PFIZER LIMITED (GB) 2008-07-24 US disclosed
US-7332483-B2 3-(5-benzamido-2-chlorophenyl)-7-methoxy-3,4-dihydroquinazolin-4-one;cytokines (tumor necrosis factor and interleukins) inhibitor; antiinflammatory agent, rheumatoid arthritis, osteoarthritis, psoriasis, chronic obstructive pulmonary disease ASTRAZENECA AB (SE) 2008-02-19 US disclosed
US-20070149550-A1 1-aryl-4-cyclopropylpyrazoles with at least one fluorine attached to the cyclopropyl ring; parasiticides; fleas; extended duration of action for at least 28 days PFIZER INC. (US) 2007-06-28 US disclosed
US-20060281734-A1 Amide derivatives BROWN DEARG S 2006-12-14 US disclosed
US-20060211740-A1 Novel compounds GLAXO GROUP LIMITED 2006-09-21 US disclosed
US-7008945-B1 Amide derivatives ASTRAZENECA AB (SE) 2006-03-07 US disclosed
US-20050245551-A1 Amide derivatives ASTRAZENECA AB 2005-11-03 US disclosed
WO-2005025557-A1 AN AGENT FOR PLASMINOGEN-ACTIVATION AND MATRIX METALLOPROTEINASE ASSOCIATED CONDITIONS AND METHODS OF USE MONASH UNIVERSITY (AU) 2005-03-24 WO disclosed
CN-1418192-A Pharmaceutical compositions containing azetidine derivatives novel azetidine derivatives and preparation thereof AVENTIS PHARMA SA (FR) 2003-05-14 CN disclosed
US-6355631-B1 TREATMENT OF PSYCHOSIS AND SCHIZOPHRENIA AVENTIS PHARMA S.A. (FR) 2002-03-12 US disclosed
EP-1163237-A1 AMIDE DERIVATIVES AstraZeneca AB (SE) 2001-12-19 EP disclosed
WO-2000055153-A1 AMIDE DERIVATIVES ASTRAZENECA AB (SE) 2000-09-21 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-20080176865-A1 SUBSTITUTED ARYLPYRAZOLES CYP3A4, CYP3A43, CYP4B1 POLB 3133/4885HPGD 3011/4885RECQL 4383/4885
US-20050245551-A1 Amide derivatives IL6, IL6ST, IL1B POLB 3576/4885HPGD 242/4885RECQL 2422/4885
US-20060281734-A1 Amide derivatives IL6, IL6ST, IL1B POLB 3576/4885HPGD 242/4885RECQL 2422/4885
US-20070149550-A1 1-aryl-4-cyclopropylpyrazoles with at least one fluorine attached to the cyclopropyl ring; parasiticides; fleas; extended duration of action for at least 28 days CYP3A43, CYP3A4, CYP2F1 POLB 2927/4885HPGD 3207/4885RECQL 3683/4885
US-20060211740-A1 Novel compounds BACE2, BACE1, PSEN2 POLB 1607/4885HPGD 3779/4885RECQL 3529/4885

“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.