SCHEMBL12414224

SCHEMBL12414224

CS(=O)(=O)c1ccc(NCCc2c(Cl)ncnc2Cl)c(F)c1

nearest known ligand 0.42

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PKM P14618 2/20 0.42
GPR119 Q8TDV5 10/20 0.38
ALDH1A1 P00352 1/20 0.37
MAPT P10636 1/20 0.37
F10 P00742 2/20 0.35
TRPM5 Q9NZQ8 1/20 0.35
LRRK2 Q5S007 2/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2C19 P33261 1/20 0.35
TNNI3K Q59H18 1/20 0.34

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
SCHEMBL4491001 0.75 GPR119 (0.44) GPR119CYP3A4
SCHEMBL3930505 0.74 GPR119 (0.45) GPR119CYP3A4
SCHEMBL2785258 0.74 GPR119 (0.56) GPR119CYP3A4
SCHEMBL15196391 0.71 GPR119 (0.47) GPR119CYP3A4
SCHEMBL4495992 0.71 NPC1 (0.36)
SCHEMBL30871243 0.69 CA1 (0.44) GPR119
SCHEMBL10120559 0.68 GPR119 (0.51) GPR119CYP3A4
SCHEMBL14875298 0.67 CA1 (0.49) LRRK2
SCHEMBL4497189 0.67 GALR3 (0.38) PKMALDH1A1MAPT
SCHEMBL10134288 0.67 GPR119 (0.53) GPR119TNNI3K

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8822480-B2 Bicyclic heterocycle derivatives and use thereof as GPR119 modulators MERCK SHARP & DOHME CORP. (US) 2014-09-02 US disclosed
US-8822480-B2 Bicyclic heterocycle derivatives and use thereof as GPR119 modulators MERCK SHARP & DOHME CORP. (US) 2014-09-02 US disclosed
US-20110166165-A1 BICYCLIC HETEROCYCLE DERIVATIVES AND USE THEREOF AS GPR119 MODULATORS SCHERING CORPORATION (US) 2011-07-07 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 (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-20110166165-A1 BICYCLIC HETEROCYCLE DERIVATIVES AND USE THEREOF AS GPR119 MODULATORS GPR119, GPR88, GCGR PKM 1950/4885GPR119 1/4885ALDH1A1 1551/4885

“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.