SCHEMBL8225935

SCHEMBL8225935

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

nearest known ligand 0.38

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TSHR P16473 5/20 0.38
CYP2D6 P10635 9/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
CYP2C19 P33261 5/20 0.36
ACLY P53396 1/20 0.35
CYP2C9 P11712 5/20 0.34
SPR P35270 1/20 0.34
CYP1A2 P05177 6/20 0.33
CYP3A4 P08684 5/20 0.33
CA1 P00915 2/20 0.33
CA2 P00918 2/20 0.33
ALDH1A1 P00352 2/20 0.33
USP2 O75604 1/20 0.33
POLB P06746 1/20 0.33
ALOX15 P16050 1/20 0.33

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
SCHEMBL347200 0.98 CYP2D6 (0.37) TSHRCYP2D6SMN1; SMN2CYP2C19ACLY
SCHEMBL1371388 0.81 CA1 (0.56) TSHRCYP2D6SMN1; SMN2CYP2C19ACLY
SCHEMBL8225915 0.79 CYP2D6 (0.39) TSHRCYP2D6SMN1; SMN2CYP2C19ACLY
SCHEMBL15503069 0.79 CYP2D6 (0.56) TSHRCYP2D6SMN1; SMN2CYP2C19CYP2C9
SCHEMBL29649359 0.78 CA1 (0.52) TSHRCYP2D6SMN1; SMN2CYP2C19ACLY
SCHEMBL346463 0.74 CYP2D6 (0.39) TSHRCYP2D6SMN1; SMN2CYP2C19ACLY
SCHEMBL346464 0.74 TSHR (0.37) TSHRCYP2D6SMN1; SMN2CYP2C19ACLY
SCHEMBL12256299 0.74 CYP2D6 (0.36) TSHRCYP2D6SMN1; SMN2CYP2C19ACLY
SCHEMBL417152 0.73 CA1 (0.58) TSHRCYP2C19CYP2C9CYP3A4CA1
SCHEMBL3937944 0.73 CA1 (0.58) TSHRCYP2C19CYP2C9CYP3A4CA1

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 12 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
US-20140073662-A1 Spirocyclic nitriles as protease inhibitors SANOFI (FR) 2014-03-13 US disclosed
US-20140073662-A1 Spirocyclic nitriles as protease inhibitors SANOFI (FR) 2014-03-13 US 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 (3 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 TSHR 4046/4885CYP2D6 644/4885SMN1; SMN2 3535/4885
US-20120015933-A1 Spirocyclic nitriles as protease inhibitors CTRL, SERPINB1, PREP TSHR 4046/4885CYP2D6 644/4885SMN1; SMN2 3535/4885
US-20140073662-A1 Spirocyclic nitriles as protease inhibitors CTRL, SERPINB1, PREP TSHR 4046/4885CYP2D6 644/4885SMN1; SMN2 3535/4885

“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.