SCHEMBL3285387

SCHEMBL3285387

CN(C)S(=O)(=O)N1CCC(C(=O)O)CC1

nearest known ligand 0.58

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.53
TSHR P16473 2/20 0.51
GAA P10253 3/20 0.50
SMN1; SMN2 Q16637 2/20 0.45
MEN1 O00255 1/20 0.43
CYP2C19 P33261 1/20 0.43
KMT2A Q03164 1/20 0.43
USP2 O75604 1/20 0.43
POLB P06746 2/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
KDM4E B2RXH2 1/20 0.42
GLA P06280 1/20 0.42
MAPT P10636 1/20 0.42
HSD17B10 Q99714 1/20 0.42

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
SCHEMBL14278726 0.89 ALDH1A1 (0.46) ALDH1A1TSHRGAASMN1; SMN2MEN1
SCHEMBL3282293 0.89 ALDH1A1 (0.46) ALDH1A1TSHRGAASMN1; SMN2MEN1
SCHEMBL12437040 0.85 ALDH1A1 (0.53) ALDH1A1GAASMN1; SMN2CYP2C19L3MBTL1
SCHEMBL3282723 0.80 GAA (0.43) ALDH1A1TSHRGAASMN1; SMN2MEN1
SCHEMBL607186 0.78 TP53 (0.63) ALDH1A1TSHRSMN1; SMN2MEN1CYP2C19
SCHEMBL29497130 0.77 TSHR (0.78) ALDH1A1TSHRGAASMN1; SMN2MEN1
SCHEMBL853541 0.77 ALDH1A1 (0.49) ALDH1A1TSHRGAASMN1; SMN2MEN1
SCHEMBL8263017 0.75 ALDH1A1 (0.60) ALDH1A1GAASMN1; SMN2MEN1KMT2A
SCHEMBL23581751 0.75 TSHR (0.58) ALDH1A1TSHRGAASMN1; SMN2MEN1
SCHEMBL7906419 0.75 TSHR (0.58) ALDH1A1TSHRGAASMN1; SMN2MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1761542-B1 OCTAHYDROPYRROLO[3,4-C]PYRROLE DERIVATIVES AN THEIR USE AS ANTIVIRAL AGENTS HOFFMANN LA ROCHE (CH) 2008-01-02 EP claimed
EP-1761542-A2 OCTAHYDROPYRROLO[3,4-C]PYRROLE DERIVATIVES AN THEIR USE AS ANTIVIRAL AGENTS F.HOFFMANN-LA ROCHE AG (CH) 2007-03-14 EP claimed
WO-2005121145-A2 OCTAHYDRO-PYRROLO[3,4-C] DERIVATIVES AND THEIR USE AS ANTIVIRAL COMPOUNDS F. HOFFMANN-LA ROCHE AG (CH) 2005-12-22 WO claimed
WO-2021096314-A1 NOVEL BENZIMIDAZOLE DERIVATIVE AND USE THEREOF 가천대학교 산학협력단 2021-05-20 WO disclosed
US-7714018-B2 Heterocyclic antiviral compounds ROCHE PALO ALTO LLC (US) 2010-05-11 US disclosed
EP-1761542-B1 OCTAHYDROPYRROLO[3,4-C]PYRROLE DERIVATIVES AN THEIR USE AS ANTIVIRAL AGENTS HOFFMANN LA ROCHE (CH) 2008-01-02 EP disclosed
US-20070117859-A1 Heterocyclic antiviral compounds ROCHE PALO ALTO LLC 2007-05-24 US disclosed
US-7164019-B2 Such as cyclopentanecarboxylic acid {(S)-1-phenyl-3-[5-(pyridine-3-carbonyl)-hexahydro-pyrrolo[3,4-c]pyrrol-2-yl]-propyl}-amide; antagonists of chemokine receptors, useful for treating/preventing human immunodeficiency virus infection, AIDS or ARC ROCHE PALO ALTO LLC (US) 2007-01-16 US disclosed
US-20060014767-A1 Heterocyclic antiviral compounds ROCHE PALO ALTO LLC 2006-01-19 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 (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-20060014767-A1 Heterocyclic antiviral compounds CCR5, ACKR3, CXCR1 ALDH1A1 1773/4885TSHR 1209/4885GAA 3680/4885
US-20070117859-A1 Heterocyclic antiviral compounds CCR5, ACKR3, CXCR1 ALDH1A1 1773/4885TSHR 1209/4885GAA 3680/4885

“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.