SCHEMBL1458895

SCHEMBL1458895

NC(=S)N1CCN(C(=O)O)CC1

nearest known ligand 0.35

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CA12 O43570 2/20 0.33
CA1 P00915 2/20 0.33
CA2 P00918 2/20 0.33
CA9 Q16790 2/20 0.33
ALDH1A1 P00352 1/20 0.31
CYP1A2 P05177 1/20 0.30
ACHE P22303 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
SCHEMBL4421353 0.83
SCHEMBL5997632 0.83 CA12 (0.44) CA12CA1CA2CA9ALDH1A1
SCHEMBL145307 0.80
SCHEMBL28468317 0.80 ALDH1A1 (0.42) ALDH1A1CYP1A2
SCHEMBL9079929 0.80 ALDH1A1 (0.42) ALDH1A1CYP1A2
SCHEMBL16904 0.80 ALDH1A1 (0.42) ALDH1A1CYP1A2
SCHEMBL957418 0.78 ALDH1A1 (0.39) ALDH1A1CYP1A2ACHE
SCHEMBL31478000 0.78 ALDH1A1 (0.39) ALDH1A1CYP1A2ACHE
SCHEMBL5430146 0.77 CYP1A2 (0.54) ALDH1A1CYP1A2
Hydrochloric Acid SCHEMBL10787986 0.76 ALDH1A1 (0.40) ALDH1A1CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11046712-B2 Glycosidase inhibitors ASCENEURON SA (CH) 2021-06-29 US disclosed
EP-3419972-A1 GLYCOSIDASE INHIBITORS Asceneuron SA (CH) 2019-01-02 EP disclosed
EP-3419974-A1 PROCESS FOR THE SEPARATION OF ENANTIOMERS OF PIPERAZINE DERIVATIVES Asceneuron SA (CH) 2019-01-02 EP disclosed
EP-3419976-A1 ACID ADDITION SALTS OF PIPERAZINE DERIVATIVES Asceneuron SA (CH) 2019-01-02 EP disclosed
EP-3419971-A1 GLYCOSIDASE INHIBITORS Asceneuron SA (CH) 2019-01-02 EP disclosed
WO-2017144635-A1 PROCESS FOR THE SEPARATION OF ENANTIOMERS OF PIPERAZINE DERIVATIVES ASCENEURON S. A. (CH) 2017-08-31 WO disclosed
WO-2017144639-A1 GLYCOSIDASE INHIBITORS ASCENEURON S. A. (CH) 2017-08-31 WO disclosed
WO-2017144637-A1 ACID ADDITION SALTS OF PIPERAZINE DERIVATIVES ASCENEURON S. A. (CH) 2017-08-31 WO disclosed
WO-2017144633-A1 GLYCOSIDASE INHIBITORS ASCENEURON S. A. (CH) 2017-08-31 WO disclosed
EP-3186243-A1 GLYCOSIDASE INHIBITORS Asceneuron SA (CH) 2017-07-05 EP disclosed
WO-2016030443-A1 GLYCOSIDASE INHIBITORS ASCENEURON SA (CH) 2016-03-03 WO disclosed
CN-102083312-B Benzene sulfonamide thiazole and oxazole compounds SMITHKLINE BEECHAM CORP 2014-08-27 CN disclosed
US-20130053396-A1 PIPERIDINE AND PIPERAZINE DERIVATIVES AS SMO ANTAGONISTS INSTITUTO DI RICERCHE DI BIOLOGIA MOLECOLARE P. ANGELETTI S.R.L. (IT) 2013-02-28 US disclosed
EP-2480543-A1 PIPERIDINE AND PIPERAZINE DERIVATIVES AS SMO ANTAGONISTS Istituto di Ricerche di Biologia Molecolare P. Angeletti S.R.L. (IT) 2012-08-01 EP disclosed
CN-102083312-A Benzene sulfonamide thiazole and oxazole compounds SMITHKLINE BEECHAM CORP 2011-06-01 CN disclosed
WO-2011036478-A1 PIPERIDINE AND PIPERAZINE DERIVATIVES AS SMO ANTAGONISTS ISTITUTO DI RICERCHE DI BIOLOGIA MOLECOLARE P. ANGELETTI S.P.A. (IT) 2011-03-31 WO disclosed
CN-100469780-C Cysteine protease inhibitors MEDIVIR AB (SE) 2009-03-18 CN disclosed
CN-1918169-A Cysteine protease inhibitors MEDIVIR AB (SE) 2007-02-21 CN 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-20130053396-A1 PIPERIDINE AND PIPERAZINE DERIVATIVES AS SMO ANTAGONISTS SHH, SMO, GLI1 CA12 2879/4885CA1 2181/4885CA2 3523/4885
US-11046712-B2 Glycosidase inhibitors GAA, ENGASE, GBA3 CA12 498/4885CA1 272/4885CA2 1487/4885

“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.