SCHEMBL149362

SCHEMBL149362

[CH2]/C(=C/CC)C(=O)OCC(C)C

nearest known ligand 0.52

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.52
ALDH1A1 P00352 2/20 0.35
SMN1; SMN2 Q16637 1/20 0.33
HPGD P15428 1/20 0.32
GRIK1 P39086 1/20 0.31
GRIK2 Q13002 1/20 0.31
GPR35 Q9HC97 1/20 0.30

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
SCHEMBL7190576 1.00 TSHR (0.52) TSHRALDH1A1SMN1; SMN2HPGDGRIK1
SCHEMBL41974 1.00 TSHR (0.52) TSHRALDH1A1SMN1; SMN2HPGDGRIK1
SCHEMBL10587204 0.82 TSHR (0.57) TSHRALDH1A1SMN1; SMN2HPGD
SCHEMBL10587210 0.82 TSHR (0.57) TSHRALDH1A1SMN1; SMN2HPGD
SCHEMBL15673048 0.80 TSHR (0.50) TSHRALDH1A1SMN1; SMN2HPGDGPR35
SCHEMBL28467655 0.79 NPSR1 (0.43) TSHRALDH1A1SMN1; SMN2
SCHEMBL7586059 0.79 NPSR1 (0.43) TSHRALDH1A1SMN1; SMN2
SCHEMBL7586064 0.79 NPSR1 (0.43) TSHRALDH1A1SMN1; SMN2
SCHEMBL11800167 0.78 TSHR (0.53) TSHRALDH1A1SMN1; SMN2HPGDGPR35
SCHEMBL7284423 0.76 TSHR (0.46) TSHRALDH1A1SMN1; SMN2HPGDGRIK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130131032-A1 NEUROTHERAPEUTIC TREATMENT FOR SEXUAL DYSFUNCTION REVAAX PHARMACEUTICALS, LLC (US) 2013-05-23 US claimed
US-7355040-B2 Process for the preparation of cephalosporin compounds and synthetic intermediates ZOETIS SERVICES LLC 2008-04-08 US claimed
EP-0849269-B9 Vinyl pyrrolidine cephalosporins with basic substituents BASILEA PHARMACEUTICA AG (CH) 2003-03-05 EP claimed
EP-0849269-B1 Vinyl pyrrolidine cephalosporins with basic substituents BASILEA PHARMACEUTICA AG (CH) 2002-07-10 EP claimed
US-5763603-A HIGH BETA-LACTAMASE INHIBITORY ACTIVITY IN COMBINATION WITH BETA-LACTAM ANTIBIOTICS TAIHO PHARMACEUTICAL CO., LTD. (JP) 1998-06-09 US claimed
US-5712268-A Compositions of tricyclic β-lactams and uses thereof HOFFMANN-LA ROCHE INC. (US) 1998-01-27 US claimed
US-5698577-A ANTIBIOTICS HOFFMANN-LA ROCHE INC. (US) 1997-12-16 US claimed
EP-0508234-B1 Beta-lactames HOFFMANN LA ROCHE (CH) 1996-07-24 EP claimed
US-5494666-A BETA-LACTAMASE INHIBITORS, ANTIBACTERIALS HOFFMANN-LA ROCHE INC. (US) 1996-02-27 US claimed
US-5464617-A 1H-2,6a-diazacyclobut(cd)indene-6-carboxylic acid derivatives, antibiotics HOFFMANN-LA ROCHE INC. (US) 1995-11-07 US claimed
EP-0671401-A1 Beta lactames F. HOFFMANN-LA ROCHE AG (CH) 1995-09-13 EP claimed
EP-0508234-A2 Beta-lactames F. HOFFMANN-LA ROCHE AG (CH) 1992-10-14 EP claimed
US-10010616-B2 Immunogenic compositions and reagents for preparing PURDUE RESEARCH FOUNDATION (US) 2018-07-03 US disclosed
US-9782491-B2 Peptide conjugates for treating pain INDIANA UNIVERSITY RESEARCH AND TECHNOLOGY CORPORATION (US) 2017-10-10 US disclosed
US-9505747-B2 Processes for preparing tubulysin derivatives and conjugates thereof ENDOCYTE, INC. (US) 2016-11-29 US disclosed
US-9480679-B2 Methods for treating malaria, tuberculosis and MAC diseases CEMPRA PHARMACEUTICALS, INC. (US) 2016-11-01 US disclosed
WO-1992001695-A1 CEPHALOSPORINS AND HOMOLOGUES, PREPARATIONS AND PHARMACEUTICAL COMPOSITIONS BEECHAM GROUP PLC (GB) 1992-02-06 WO disclosed
WO-1992001696-A1 CEPHALOSPORINS AND HOMOLOGUES, PREPARATIONS AND PHARMACEUTICAL COMPOSITIONS BEECHAM GROUP PLC (GB) 1992-02-06 WO disclosed
EP-0395219-A2 Cephalosporins and their homologues, process for their preparation and pharmaceutical compositions Beecham Group p.l.c. (GB) 1990-10-31 EP disclosed
EP-0318767-A2 Esters of pharmacologically active carboxylic acids splittable under physiological conditions F. HOFFMANN-LA ROCHE AG (CH) 1989-06-07 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-20130131032-A1 NEUROTHERAPEUTIC TREATMENT FOR SEXUAL DYSFUNCTION PREP, DNPEP, PRSS12 TSHR 3894/4885ALDH1A1 1573/4885SMN1; SMN2 518/4885
US-10010616-B2 Immunogenic compositions and reagents for preparing FCGRT, HLA-DRB1, CD47 TSHR 3774/4885ALDH1A1 4566/4885SMN1; SMN2 2380/4885

“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.