SCHEMBL903601

SCHEMBL903601

CC(C)OC(=O)N[C@H](C(=O)O)C(C)C

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 2/20 0.42
SMN1; SMN2 Q16637 3/20 0.42
ALDH1A1 P00352 3/20 0.42
HTT P42858 1/20 0.41
LMNA P02545 1/20 0.40
GAA P10253 1/20 0.40
HPGD P15428 1/20 0.40
PLA2G2A P14555 1/20 0.40
PLA2G5 P39877 1/20 0.40
TYR P14679 1/20 0.39
FPR2 P25090 1/20 0.39
TSHR P16473 1/20 0.37
CA2 P00918 2/20 0.37
CA1 P00915 1/20 0.37
CTSS P25774 1/20 0.37
CTSK P43235 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
SCHEMBL5552041 1.00 NPSR1 (0.42) NPSR1SMN1; SMN2ALDH1A1HTTLMNA
SCHEMBL1729385 1.00 NPSR1 (0.42) NPSR1SMN1; SMN2ALDH1A1HTTLMNA
SCHEMBL15701448 0.83 HTT (0.39) NPSR1SMN1; SMN2ALDH1A1HTTHPGD
SCHEMBL4745432 0.83 CTSS (0.39) HTTCTSSCTSK
SCHEMBL13192726 0.83 HTT (0.38) SMN1; SMN2HTTHPGDTSHRCTSS
SCHEMBL12631270 0.83 TSHR (0.42) SMN1; SMN2ALDH1A1HTTHPGDTSHR
SCHEMBL10441262 0.83 TSHR (0.42) SMN1; SMN2ALDH1A1HTTHPGDTSHR
SCHEMBL10442172 0.82 ALDH1A1 (0.43) NPSR1SMN1; SMN2ALDH1A1HTTPLA2G2A
SCHEMBL191467 0.82 SMN1; SMN2 (0.44) NPSR1SMN1; SMN2ALDH1A1LMNAGAA
SCHEMBL4994 0.82 SMN1; SMN2 (0.44) NPSR1SMN1; SMN2ALDH1A1LMNAGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5453531-A Insecticides, fungicides for plants BAYER AKTIENGESELLSCHAFT (DE) 1995-09-26 US claimed
EP-0472996-B1 Substituted valinamide derivatives BAYER AG (DE) 1995-02-01 EP claimed
EP-0550788-A1 Substituted valinamide derivatives BAYER AG (DE) 1993-07-14 EP claimed
EP-0472996-A1 Substituted valinamide derivatives BAYER AG (DE) 1992-03-04 EP claimed
EP-2621279-B1 FUSED TETRACYCLE DERIVATIVES AND METHODS OF USE THEREOF FOR THE TREATMENT OF VIRAL DISEASES MERCK SHARP & DOHME (US) 2018-04-04 EP disclosed
US-9796705-B2 Fused tricyclic compounds and methods of use thereof for the treatment of viral diseases MERCK SHARP & DOHME CORP. (US) 2017-10-24 US disclosed
US-9796705-B2 Fused tricyclic compounds and methods of use thereof for the treatment of viral diseases MERCK SHARP & DOHME CORP. (US) 2017-10-24 US disclosed
US-20170008879-A1 FUSED TRICYCLIC COMPOUNDS AND METHODS OF USE THEREOF FOR THE TREATMENT OF VIRAL DISEASES MERCK SHARP & DOHME CORP. (US) 2017-01-12 US disclosed
US-20170008879-A1 FUSED TRICYCLIC COMPOUNDS AND METHODS OF USE THEREOF FOR THE TREATMENT OF VIRAL DISEASES MERCK SHARP & DOHME CORP. (US) 2017-01-12 US disclosed
US-9447055-B1 α-amino esters of hydroxypropylthiazolidine carboxamide derivative and salt form, crystal polymorph thereof MERCK SERONO S.A. (CH) 2016-09-20 US disclosed
US-9254292-B2 Fused tetracycle derivatives and methods of use thereof for the treatment of viral diseases MERCK SHARP & DOHME CORP. (US) 2016-02-09 US disclosed
US-8980920-B2 Antiviral compounds of three linked aryl moieties to treat diseases such as hepatitis C MERCK SHARP & DOHME CORP. (US) 2015-03-17 US disclosed
EP-0587110-A2 Condensed heterocyclic derivatives and agricultural or horticultural fungicides containing the same KUMIAI CHEMICAL INDUSTRY CO., LTD. (JP) 1994-03-16 EP disclosed
EP-0550788-A1 Substituted valinamide derivatives BAYER AG (DE) 1993-07-14 EP disclosed
WO-1993005026-A1 PEPTIDE ISOTERS CONTAINING A HETEROCYCLE AS H.I.V. INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 1993-03-18 WO disclosed
EP-0496239-A2 Substituted aminoacid amide derivatives, their preparation and use as fungicide BAYER AG (DE) 1992-07-29 EP disclosed
EP-0472996-A1 Substituted valinamide derivatives BAYER AG (DE) 1992-03-04 EP disclosed
EP-0226304-B1 COMPOSITION CONTAINING A PENEM OR CARBAPENEM ANTIBIOTIC SANKYO COMPANY LIMITED (JP) 1991-08-28 EP disclosed
US-4757066-A Reduces renal toxicity SANKYO COMPANY LIMITED (JP) 1988-07-12 US disclosed
EP-0226304-A1 Composition containing a penem or carbapenem antibiotic SANKYO COMPANY LIMITED (JP) 1987-06-24 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 (1 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-20170008879-A1 FUSED TRICYCLIC COMPOUNDS AND METHODS OF USE THEREOF FOR THE TREATMENT OF VIRAL DISEASES ZC3HAV1, HAVCR2, ZC3HAV1L NPSR1 4039/4885SMN1; SMN2 957/4885ALDH1A1 3470/4885

“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.