SCHEMBL4661948

SCHEMBL4661948

CCC(NC(C)=O)C(=O)OC

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.43
KDM4E B2RXH2 1/20 0.43
MAPT P10636 1/20 0.43
THRB P10828 1/20 0.43
ALOX15 P16050 1/20 0.43
NFKB1 P19838 1/20 0.43
PTGS2 P35354 1/20 0.43
THPO P40225 1/20 0.43
RECQL P46063 1/20 0.43
BLM P54132 1/20 0.43
ALDH1A1 P00352 2/20 0.42
CA1 P00915 3/20 0.41
CA2 P00918 3/20 0.41
BIRC2 Q13490 1/20 0.39
CA12 O43570 2/20 0.37
CA9 Q16790 2/20 0.37
CA3 P07451 1/20 0.37
CA4 P22748 1/20 0.37
CA6 P23280 1/20 0.37
CA5A P35218 1/20 0.37

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
SCHEMBL4659641 1.00 SMN1; SMN2 (0.43) SMN1; SMN2KDM4EMAPTTHRBALOX15
SCHEMBL4660645 1.00 SMN1; SMN2 (0.43) SMN1; SMN2KDM4EMAPTTHRBALOX15
SCHEMBL3898983 0.84 L3MBTL1 (0.50) SMN1; SMN2KDM4EMAPTTHRBALOX15
SCHEMBL12064041 0.84 SMN1; SMN2 (0.45) SMN1; SMN2KDM4EMAPTTHRBALOX15
SCHEMBL12064029 0.84 SMN1; SMN2 (0.45) SMN1; SMN2KDM4EMAPTTHRBALOX15
SCHEMBL12064309 0.84 SMN1; SMN2 (0.45) SMN1; SMN2KDM4EMAPTTHRBALOX15
SCHEMBL13198959 0.84 CA1 (0.42) SMN1; SMN2CA1CA2BIRC2CA12
SCHEMBL3241409 0.83 TAS1R3 (0.46) SMN1; SMN2KDM4EMAPTTHRBALOX15
SCHEMBL711890 0.83 TAS1R3 (0.46) SMN1; SMN2KDM4EMAPTTHRBALOX15
SCHEMBL13993116 0.82 CA1 (0.41) SMN1; SMN2CA1CA2BIRC2CA12

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20250083136-A1 METHODS AND SYSTEMS FOR MODIFYING SELECTIVITY IN CATALYTIC REACTIONS U.S. DEPARTMENT OF ENERGY 2025-03-13 US disclosed
WO-2018071741-A1 SULFOXYALKYL ORGANONITRO AND RELATED COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS FOR USE IN MEDICINE EPICENTRIX, INC. (US) 2018-04-19 WO disclosed
US-9468625-B2 Organonitro thioether compounds and medical uses thereof EPICENTRX, INC. (US) 2016-10-18 US disclosed
US-20160081981-A1 ORGANONITRO THIOETHER COMPOUNDS AND MEDICAL USES THEREOF RADIORX, INC. 2016-03-24 US disclosed
US-20150315227-A1 PHOSPHOROUS PROTECTING GROUPS AND METHODS OF PREPARATION AND USE THEREOF UNIVERSITY OF COLORADO BOULDER 2015-11-05 US disclosed
WO-2015168461-A2 PHOSPHOROUS PROTECTING GROUPS AND METHODS OF PREPARATION AND USE THEREOF AGILENT TECHNOLOGIES, INC. (US) 2015-11-05 WO disclosed
US-9139519-B2 Organonitro thioether compounds and medical uses thereof EPICENTRX, INC. (US) 2015-09-22 US disclosed
US-20140349988-A1 ORGANONITRO THIOETHER COMPOUNDS AND MEDICAL USES THEREOF RADIORX, INC. (US) 2014-11-27 US disclosed
US-8114858-B2 Derivatives of 4- or 5-aminosalicylic acid ANTIBE THERAPEUTICS INC. (CA) 2012-02-14 US disclosed
US-8114857-B2 Derivatives of 4- or 5-aminosalicylic acid ANTIBE THERAPEUTICS INC. (CA) 2012-02-14 US disclosed
US-20090209511-A1 Benzofuran Derivatives KAWAGUCHI TAKAYUKI 2009-08-20 US disclosed
US-7531537-B2 Benzofuran derivative MITSUBISHI TANABE PHARMA CORPORATION (JP) 2009-05-12 US disclosed
US-20090082372-A1 Arylmethylene Substituted N-Acyl-Beta-Amino Alcohols BAYER SCHERING PHARMA AG (DE) 2009-03-26 US disclosed
EP-1279660-B1 Process for producing an optically active amide from an alpha, beta-unsaturated amide derivative in the presence of an optically active transition metal complex containing a phosphine-phosphorane compound and rhodium TAKASAGO PERFUMERY CO LTD (JP) 2008-12-17 EP disclosed
US-20070292476-A1 Delivery of ophthalmologic agents to the exterior or interior of the eye MEDIVAS, LLC (US) 2007-12-20 US disclosed
CN-1309728-C Chiral organic, inorganic polymer assembled catalyst, synthesis method and use SHANGHAI INST ORGANIC CHEM (CN) 2007-04-11 CN disclosed
CN-1597114-A Chiral organic, inorganic polymer assembled catalyst, synthesis method and use SHANGHAI INST ORGANIC CHEM (CN) 2005-03-23 CN disclosed
US-6855847-B2 Process for producing optically active amide from α β- unsaturated amide derivative in the presence of transition metal complex containing phosphine-phosphorane compound and transition metal TAKASAGO INTERNATIONAL CORPORATION (JP) 2005-02-15 US disclosed
US-20030120067-A1 Process for producing optically active amide from alpha beta- unsaturated amide derivative in the presence of transition metal complex containing phosphine-phosphorane compound and transition metal TAKASAGO INTERNATIONAL CORPORATION 2003-06-26 US disclosed
EP-1279660-A1 Process for producing an optically active amide from an alpha, beta-unsaturated amide derivative in the presence of a transition metal complex containing a phosphine-phosphorane compound and a transition metal Takasago International Corporation (JP) 2003-01-29 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 (8 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-20250083136-A1 METHODS AND SYSTEMS FOR MODIFYING SELECTIVITY IN CATALYTIC REACTIONS HMBS, UNG, MPG SMN1; SMN2 3203/4885KDM4E 1712/4885MAPT 4305/4885
US-20070292476-A1 Delivery of ophthalmologic agents to the exterior or interior of the eye UACA, USP36, FAU SMN1; SMN2 4376/4885KDM4E 1738/4885MAPT 688/4885
US-20030120067-A1 Process for producing optically active amide from alpha beta- unsaturated amide derivative in the presence of transition metal complex containing phosphine-phosphorane compound and transition metal PHOSPHO1, NAAA, DEGS1 SMN1; SMN2 2984/4885KDM4E 4438/4885MAPT 3373/4885
US-20150315227-A1 PHOSPHOROUS PROTECTING GROUPS AND METHODS OF PREPARATION AND USE THEREOF POLN, POLRMT, NUDT21 SMN1; SMN2 362/4885KDM4E 3963/4885MAPT 4148/4885
US-20090209511-A1 Benzofuran Derivatives F12, F2, F3 SMN1; SMN2 3067/4885KDM4E 1464/4885MAPT 4681/4885
US-20140349988-A1 ORGANONITRO THIOETHER COMPOUNDS AND MEDICAL USES THEREOF SLC22A8, SLCO2A1, SLCO2B1 SMN1; SMN2 1765/4885KDM4E 747/4885MAPT 2777/4885
US-20160081981-A1 ORGANONITRO THIOETHER COMPOUNDS AND MEDICAL USES THEREOF SLC22A8, XPOT, NPM1 SMN1; SMN2 2323/4885KDM4E 1061/4885MAPT 2770/4885
US-20090082372-A1 Arylmethylene Substituted N-Acyl-Beta-Amino Alcohols FSHR, SHBG, NAT1 SMN1; SMN2 2238/4885KDM4E 1126/4885MAPT 4680/4885

“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.