SCHEMBL2222536

SCHEMBL2222536

CS(=O)(=O)CC1CCC(NC(=O)OCc2ccccc2)CC1

nearest known ligand 0.64

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.64
GAA P10253 1/20 0.64
TSHR P16473 1/20 0.62
EPHX1 P07099 1/20 0.55
DPP4 P27487 5/20 0.51
DPP7 Q9UHL4 5/20 0.51
KCNH2 Q12809 3/20 0.51
CTSL P07711 1/20 0.50
CTSB P07858 1/20 0.50
CTSK P43235 1/20 0.50
CA1 P00915 2/20 0.48
CA2 P00918 2/20 0.48
ACHE P22303 2/20 0.48
MEN1 O00255 1/20 0.48
KMT2A Q03164 1/20 0.48
F13A1 P00488 1/20 0.48
TGM2 P21980 1/20 0.48
TGM1 P22735 1/20 0.48
CPB1 P15086 1/20 0.47

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
SCHEMBL3948456 0.85 ALDH1A1 (0.85) ALDH1A1GAATSHREPHX1DPP4
SCHEMBL3948461 0.85 ALDH1A1 (0.85) ALDH1A1GAATSHREPHX1DPP4
SCHEMBL381922 0.85 ALDH1A1 (0.85) ALDH1A1GAATSHREPHX1DPP4
Hydrochloric Acid SCHEMBL28135182 0.84 ALDH1A1 (0.83) ALDH1A1GAATSHREPHX1DPP4
SCHEMBL2681634 0.83 ALDH1A1 (0.72) ALDH1A1GAATSHREPHX1DPP4
SCHEMBL856166 0.83 ALDH1A1 (0.72) ALDH1A1GAATSHREPHX1DPP4
SCHEMBL856165 0.83 ALDH1A1 (0.72) ALDH1A1GAATSHREPHX1DPP4
SCHEMBL31644504 0.82 ALDH1A1 (0.64) ALDH1A1GAATSHREPHX1DPP4
SCHEMBL2627338 0.82 ALDH1A1 (0.64) ALDH1A1GAATSHREPHX1DPP4
SCHEMBL17872903 0.82 ALDH1A1 (0.71) ALDH1A1GAATSHREPHX1DPP4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8461328-B2 Tricyclic heterocyclic compounds, compositions and methods of use thereof GENENTECH, INC. (US) 2013-06-11 US disclosed
EP-2523957-A1 TRICYCLIC HETEROCYCLIC COMPOUNDS, COMPOSITIONS AND METHODS OF USE THEREOF F. Hoffmann-La Roche AG (CH) 2012-11-21 EP disclosed
CN-102712640-A Tricyclic heterocyclic compounds, compositions and methods of use thereof HOFFMANN LA ROCHE 2012-10-03 CN disclosed
US-20110201593-A1 TRICYCLIC HETEROCYCLIC COMPOUNDS, COMPOSITIONS AND METHODS OF USE THEREOF GENENTECH, INC. (US) 2011-08-18 US disclosed
WO-2011086053-A1 TRICYCLIC HETEROCYCLIC COMPOUNDS, COMPOSITIONS AND METHODS OF USE THEREOF F. HOFFMANN-LA ROCHE AG (CH) 2011-07-21 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 (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-20110201593-A1 TRICYCLIC HETEROCYCLIC COMPOUNDS, COMPOSITIONS AND METHODS OF USE THEREOF CCNY, CCNA1, CCNA2 ALDH1A1 1168/4885GAA 2545/4885TSHR 1082/4885

“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.