SCHEMBL8225915

SCHEMBL8225915

O=S(=O)(O)N1CCC2(CCCCC2)CC1

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 4/20 0.39
CYP2C19 P33261 3/20 0.39
TSHR P16473 3/20 0.37
ACLY P53396 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.35
SPR P35270 3/20 0.33
CYP2C9 P11712 3/20 0.33
DDIT3 P35638 1/20 0.33
CYP1A2 P05177 4/20 0.33
ALDH1A1 P00352 2/20 0.33
CYP3A4 P08684 2/20 0.33
USP2 O75604 1/20 0.33
CA1 P00915 2/20 0.32
CA2 P00918 2/20 0.32
NAMPT P43490 1/20 0.32
POLB P06746 1/20 0.32
HSD11B1 P28845 1/20 0.32
ALOX15 P16050 1/20 0.32

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
SCHEMBL346463 0.95 CYP2D6 (0.39) CYP2D6CYP2C19TSHRACLYSMN1; SMN2
SCHEMBL1371388 0.79 CA1 (0.56) CYP2D6CYP2C19TSHRACLYSMN1; SMN2
SCHEMBL8225935 0.79 TSHR (0.38) CYP2D6CYP2C19TSHRACLYSMN1; SMN2
SCHEMBL15503069 0.77 CYP2D6 (0.56) CYP2D6CYP2C19TSHRSMN1; SMN2CYP2C9
SCHEMBL29649359 0.76 CA1 (0.52) CYP2D6CYP2C19TSHRACLYSMN1; SMN2
SCHEMBL347200 0.76 CYP2D6 (0.37) CYP2D6CYP2C19TSHRACLYSMN1; SMN2
SCHEMBL3681074 0.75 CA1 (0.55) CYP2C19TSHRCYP2C9ALDH1A1CYP3A4
SCHEMBL15247354 0.75 CA1 (0.55) CYP2C19TSHRCYP2C9ALDH1A1CYP3A4
SCHEMBL15247350 0.75 CA1 (0.55) CYP2C19TSHRCYP2C9ALDH1A1CYP3A4
SCHEMBL917445 0.75 CA1 (0.55) CYP2C19TSHRCYP2C9ALDH1A1CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2520568-B1 Spirocyclic nitriles as inhibitors of protease SANOFI SA (FR) 2015-09-09 EP disclosed
EP-2520568-A1 Spirocyclic nitriles as inhibitors of protease SANOFI (FR) 2012-11-07 EP disclosed
EP-2032535-B1 SPIROCYCLIC NITRILES AS PROTEASE INHIBITORS SANOFI SA (FR) 2012-08-01 EP disclosed
US-20120015933-A1 Spirocyclic nitriles as protease inhibitors SANOFI-AVENTIS (FR) 2012-01-19 US disclosed
US-20120015933-A1 Spirocyclic nitriles as protease inhibitors SANOFI-AVENTIS (FR) 2012-01-19 US disclosed
US-8039480-B2 Spirocyclic nitriles as protease inhibitors SANOFI-AVENTIS (FR) 2011-10-18 US disclosed
US-8039480-B2 Spirocyclic nitriles as protease inhibitors SANOFI-AVENTIS (FR) 2011-10-18 US disclosed
US-20090275523-A1 Spirocyclic nitriles as protease inhibitors SANOFI-AVENTIS (FR) 2009-11-05 US disclosed
US-20090275523-A1 Spirocyclic nitriles as protease inhibitors SANOFI-AVENTIS (FR) 2009-11-05 US disclosed
WO-2007137738-A1 SPIROCYCLIC NITRILES AS PROTEASE INHIBITORS SANOFI-AVENTIS (DE) 2007-12-06 WO 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-20090275523-A1 Spirocyclic nitriles as protease inhibitors CTRL, SERPINB1, PREP CYP2D6 644/4885CYP2C19 510/4885TSHR 4046/4885
US-20120015933-A1 Spirocyclic nitriles as protease inhibitors CTRL, SERPINB1, PREP CYP2D6 644/4885CYP2C19 510/4885TSHR 4046/4885

“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.