SCHEMBL1474479

SCHEMBL1474479

CCC(=O)c1ccc(NS(C)(=O)=O)cc1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 3/20 0.63
RECQL P46063 1/20 0.63
HDAC3 O15379 1/20 0.60
HDAC4 P56524 1/20 0.60
HDAC1 Q13547 1/20 0.60
HDAC7 Q8WUI4 1/20 0.60
HDAC2 Q92769 1/20 0.60
HDAC10 Q969S8 1/20 0.60
HDAC11 Q96DB2 1/20 0.60
HDAC8 Q9BY41 1/20 0.60
HDAC6 Q9UBN7 1/20 0.60
HDAC9 Q9UKV0 1/20 0.60
HDAC5 Q9UQL6 1/20 0.60
PTGS2 P35354 4/20 0.58
MEN1 O00255 1/20 0.54
KMT2A Q03164 1/20 0.54
KDM4E B2RXH2 3/20 0.53
ALDH1A1 P00352 2/20 0.53
LMNA P02545 2/20 0.53
SMN1; SMN2 Q16637 2/20 0.53

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
SCHEMBL3847673 0.84 HPGD (0.57) HPGDRECQLHDAC3HDAC4HDAC1
SCHEMBL3875386 0.84 ALDH1A1 (0.59) HPGDRECQLHDAC3HDAC4HDAC1
SCHEMBL5354411 0.81 KMT2A (0.56) HPGDRECQLHDAC3HDAC4HDAC1
SCHEMBL9078412 0.81 HPGD (0.54) HPGDRECQLHDAC3HDAC4HDAC1
SCHEMBL11676181 0.81 HPGD (0.64) HPGDRECQLHDAC3HDAC4HDAC1
SCHEMBL13988049 0.81 HPGD (0.54) HPGDRECQLHDAC3HDAC4HDAC1
SCHEMBL9447401 0.81 HPGD (0.54) HPGDRECQLHDAC3HDAC4HDAC1
SCHEMBL8599690 0.80 HPGD (0.70) HPGDRECQLHDAC3HDAC4HDAC1
SCHEMBL754989 0.80 ALDH1A1 (0.69) HPGDRECQLHDAC3HDAC4HDAC1
SCHEMBL8075060 0.80 HPGD (0.53) HPGDRECQLHDAC3HDAC4HDAC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-102234231-B 1-substituted-2-substituted-4- aryl substituted-butyl-2-alkene 1, 4-diketone compound, its preparation method and application SHANGHAI INST MATERIA MEDICA 2015-01-07 CN disclosed
US-8778948-B2 Substituted phenylpiperazinyl aralkylalcohol derivatives, pharmaceutical compositions containing such derivatives and uses thereof NHWA Pharma, Corporation (CN) 2014-07-15 US disclosed
US-8492548-B2 Alkaloid aminoester derivatives and medicinal compositions thereof CHIESI FARMACEUTICI S.P.A. (IT) 2013-07-23 US disclosed
EP-1861359-B1 N-(N-SULFONYLAMINOMETHYL)CYCLOPROPANECARBOXAMIDE DERIVATIVES USEFUL FOR THE TREATMENT OF PAIN PFIZER (US) 2012-11-14 EP disclosed
US-20110311458-A1 ALKALOID AMINOESTER DERIVATIVES AND MEDICINAL COMPOSITIONS THEREOF CHIESI FARMACEUTICI S.P.A. (IT) 2011-12-22 US disclosed
US-20110294822-A1 Substituted Phenylpiperazinyl Aralkylalcohol Derivatives, Pharmaceutical Compositions Containing Such Derivatives and Uses Thereof NHWA PHARMA. CORPORATION (CN) 2011-12-01 US disclosed
US-7915448-B2 Substituted sulfonylaminoarylmethyl cyclopropanecarboxamide as VR1 receptor antagonists PFIZER INC. (US) 2011-03-29 US disclosed
US-20100035880-A1 SUBSTITUTED SULFONYLAMINOARYLMETHYL CYCLOPROPANECARBOXAMIDE AS VR1 RECEPTOR ANTAGONISTS PFIZER INC 2010-02-11 US disclosed
US-7645771-B2 CCR5 antagonists as therapeutic agents SMITHKLINE BEECHAM CORP. (US) 2010-01-12 US disclosed
US-7622589-B2 Substituted sulfonylaminoarylmethyl cyclopropanecarboxamide as VR1 receptor antagonists PFIZER INC. (US) 2009-11-24 US disclosed
US-7569579-B2 for inhibition of HIV replication and treatment of acquired immune deficiency syndrome SMITHKLINE BEECHAM CORPORATION (US) 2009-08-04 US disclosed
US-7452992-B2 inhibition of HIV replication, the prevention or treatment of an HIV infection, and in the treatment of the resulting acquired immune deficiency syndrome (AIDS); 1-((1R,5S)-8-{2-[3-(2,2-dimethylpropanoyl)-6-phenyl-1,3-oxazinan-6-yl]ethyl}-8-azabicyclo[3.2.1]oct-3-yl)-2-methyl-1H-benzimidazole SMITHKLINE BEECHAM CORPORATION (US) 2008-11-18 US disclosed
US-7271172-B2 Pyrrolidine and azetidine compounds as CCR5 antagonists SMITHKLINE BEECHAM CORPORATION (US) 2007-09-18 US disclosed
US-20060211741-A1 Substituted sulfonylaminoarylmethyl cyclopropanecarboxamide as VR1 receptor antagonists PFIZER, INC. 2006-09-21 US disclosed
US-5155268-A Antiarrhythmic N-aminoalkylene alkyl and aryl sulfonamides THE UPJOHN COMPANY (US) 1992-10-13 US disclosed
EP-0164865-B1 N-(AMINOALKYLPHENYL)SULFONAMIDES THEIR PREPARATION AND THERAPEUTIC USE THE UPJOHN COMPANY (US) 1988-12-21 EP disclosed
EP-0164865-A1 N-(Aminoalkylphenyl)sulfonamides their preparation and therapeutic use THE UPJOHN COMPANY (US) 1985-12-18 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 (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-20060211741-A1 Substituted sulfonylaminoarylmethyl cyclopropanecarboxamide as VR1 receptor antagonists CNR1, HVCN1, CNR2 HPGD 3078/4885RECQL 4357/4885HDAC3 1004/4885
US-20100035880-A1 SUBSTITUTED SULFONYLAMINOARYLMETHYL CYCLOPROPANECARBOXAMIDE AS VR1 RECEPTOR ANTAGONISTS CNR1, HVCN1, CNR2 HPGD 3027/4885RECQL 4393/4885HDAC3 1003/4885
US-20110311458-A1 ALKALOID AMINOESTER DERIVATIVES AND MEDICINAL COMPOSITIONS THEREOF CHRM3, CHRM5, CHRM2 HPGD 1600/4885RECQL 3236/4885HDAC3 2887/4885
US-20110294822-A1 Substituted Phenylpiperazinyl Aralkylalcohol Derivatives, Pharmaceutical Compositions Containing Such Derivatives and Uses Thereof OPRL1, OPRK1, OPRD1 HPGD 1558/4885RECQL 2155/4885HDAC3 409/4885

“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.