SCHEMBL1185872

SCHEMBL1185872

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

nearest known ligand 0.61

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
GSR P00390 2/20 0.61
PTGS2 P35354 2/20 0.54
MAPT P10636 1/20 0.52
SMN1; SMN2 Q16637 1/20 0.52
L3MBTL1 Q9Y468 1/20 0.52
MMP2 P08253 1/20 0.50
MMP9 P14780 1/20 0.50
MMP8 P22894 1/20 0.50
ENPP2 Q13822 1/20 0.50

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
SCHEMBL13165978 0.84 GSR (0.67) GSRPTGS2SMN1; SMN2L3MBTL1MMP2
SCHEMBL13861088 0.83 MAPT (0.52) MAPTSMN1; SMN2L3MBTL1
SCHEMBL5058142 0.83 GSR (0.61) GSRPTGS2MMP2MMP9MMP8
SCHEMBL8051337 0.82 SMN1; SMN2 (0.70) MAPTSMN1; SMN2L3MBTL1
SCHEMBL12049935 0.82 SMN1; SMN2 (0.50) GSRMAPTSMN1; SMN2L3MBTL1
SCHEMBL15556865 0.82 GSR (0.59) GSRPTGS2MMP2MMP9MMP8
SCHEMBL7603248 0.82 MAPT (0.50) GSRMAPTSMN1; SMN2L3MBTL1
SCHEMBL22584909 0.82 GSR (0.59) GSRPTGS2MMP2MMP9MMP8
SCHEMBL16923800 0.82 GSR (0.59) GSRPTGS2MMP2MMP9MMP8
SCHEMBL125350 0.82 GSR (0.59) GSRMMP2MMP9MMP8ENPP2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20200335181-A1 DIGITAL REACTIONWARE CHEMIFY LIMITED (GB) 2020-10-22 US disclosed
CN-109415359-A heterocyclic GPR119 agonist compounds 人类制药有限公司 2019-03-01 CN disclosed
CN-104961674-B Preparation method for the reference substance for synthesizing Etoricoxib 湖南方盛制药股份有限公司 2018-08-17 CN disclosed
US-20180066007-A1 Macrocyclic Compounds And Methods Of Making And Using The Same BioVersys AG (CH) 2018-03-08 US disclosed
US-9545449-B2 Site-specific labeling and targeted delivery of proteins for the treatment of cancer Advanced Proteone Therapeutics Inc. (US) 2017-01-17 US disclosed
US-20150202314-A1 SITE-SPECIFIC LABELING AND TARGETED DELIVERY OF PROTEINS FOR THE TREATMENT OF CANCER ADVANCED PROTEOME THERAPEUTICS INC. 2015-07-23 US disclosed
US-20130296551-A1 7-MEMBERED RING COMPOUND AND METHOD OF PRODUCTION AND PHARMACEUTICAL APPLICATION THEREOF DAIICHI SANKYO CO LTD (JP) 2013-11-07 US disclosed
EP-2463268-B1 4-(Aminomethyl)benzoic acids as intermediates for the preparation of chymase inhibiting 1,4-diazepan-2,5-dione compounds DAIICHI SANKYO CO LTD (JP) 2013-08-28 EP disclosed
US-8507714-B2 7-membered ring compound and method of production and pharmaceutical application thereof DAIICHI SANKYO COMPANY, LIMITED (JP) 2013-08-13 US disclosed
US-20130196978-A1 ALKALOID AMINOESTER DERIVATIVES AND MEDICINAL COMPOSITION THEREOF CHIESI FARMACEUTICI S.P.A. (IT) 2013-08-01 US disclosed
US-5981576-A (Methylsulfonyl)phenyl-2-(5H)-furanones as COX-2 inhibitors MERCK FROSST CANADA, INC. (CA) 1999-11-09 US disclosed
US-5925631-A NOVEL PRODRUGS ARE CONVERTED IN VIVO TO SELECTIVE CYCLOOXYGENASE-2 INHIBITORS; NONSTEROIDAL ANTIINFLAMMATORY AGENTS; SIDE EFFECT REDUCTION MERCK & CO., INC. (US) 1999-07-20 US disclosed
WO-1999018093-A1 NOVEL 3,4-DIARYLTHIAZOLIN-2-ONE OR -2-THIONE DERIVATIVES, PREPARATION METHODS AND USES IN THERAPY LABORATOIRES UPSA (FR) 1999-04-15 WO disclosed
EP-0904269-A1 3,4-DIARYL-2-HYDROXY-2,5-DIHYDROFURANS AS PRODRUGS TO COX-2 INHIBITORS MERCK FROSST CANADA INC. (CA) 1999-03-31 EP disclosed
EP-0863891-A1 (METHYLSULFONYL)PHENYL-2-(5H)-FURANONES AS COX-2 INHIBITORS MERCK FROSST CANADA INC. (CA) 1998-09-16 EP disclosed
US-5789413-A ANTIINFLAMMATORY AGENT MERCK FROSST CANADA, INC. (CA) 1998-08-04 US disclosed
US-5698584-A NON-STEROIDAL ANTIINFLAMMATORY AGENTS MERCK FROSST CANADA, INC. (CA) 1997-12-16 US disclosed
WO-1997016435-A1 3,4-DIARYL-2-HYDROXY-2,5-DIHYDROFURANS AS PRODRUGS TO COX-2 INHIBITORS MERCK FROSST CANADA INC. (CA) 1997-05-09 WO disclosed
WO-1997014691-A1 (METHYLSULFONYL)PHENYL-2-(5H)-FURANONES AS COX-2 INHIBITORS MERCK FROSST CANADA INC. (CA) 1997-04-24 WO disclosed
US-4237141-A BRONCHODILATORS NIPPON KAYAKU KABUSHIKI KAISHA (JP) 1980-12-02 US 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-20150202314-A1 SITE-SPECIFIC LABELING AND TARGETED DELIVERY OF PROTEINS FOR THE TREATMENT OF CANCER KDR, VCAM1, FLT4 GSR 3912/4885PTGS2 1209/4885MAPT 3401/4885
US-20130196978-A1 ALKALOID AMINOESTER DERIVATIVES AND MEDICINAL COMPOSITION THEREOF CHRM3, CHRM1, CHRNG GSR 2502/4885PTGS2 791/4885MAPT 1455/4885
US-20180066007-A1 Macrocyclic Compounds And Methods Of Making And Using The Same CCNO, PTGDR, CCNE1 GSR 308/4885PTGS2 51/4885MAPT 4552/4885
US-20130296551-A1 7-MEMBERED RING COMPOUND AND METHOD OF PRODUCTION AND PHARMACEUTICAL APPLICATION THEREOF CMA1, CPA3, SI GSR 4227/4885PTGS2 1370/4885MAPT 2307/4885

“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.