SCHEMBL16499643

SCHEMBL16499643

Cc1ccc(S(=O)(=O)OCCC2CC3CCC(C2)N3C(=O)OC(C)(C)C)cc1

nearest known ligand 0.47

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 1/20 0.47
CHRM2 P08172 1/20 0.46
CHRM1 P11229 1/20 0.46
CHRM3 P20309 1/20 0.46
GPR119 Q8TDV5 16/20 0.42
MMP13 P45452 1/20 0.41
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40

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
SCHEMBL3973620 0.89 HSD11B1 (0.49) HSD11B1CHRM2CHRM1CHRM3GPR119
SCHEMBL12794680 0.89 HSD11B1 (0.49) HSD11B1CHRM2CHRM1CHRM3GPR119
SCHEMBL31662244 0.86 HSD11B1 (0.47) HSD11B1CHRM2CHRM1CHRM3GPR119
SCHEMBL16499819 0.85 STS (0.42) MEN1KMT2A
SCHEMBL282240 0.83 GPR119 (0.60) GPR119MMP13MEN1KMT2A
SCHEMBL4828186 0.82 GPR119 (0.47) GPR119MMP13MEN1KMT2A
SCHEMBL20765293 0.82 HSD11B1 (0.51) HSD11B1CHRM2CHRM1CHRM3GPR119
SCHEMBL30661336 0.82 HSD11B1 (0.51) HSD11B1CHRM2CHRM1CHRM3GPR119
SCHEMBL15263195 0.81 CHRM2 (0.55) HSD11B1CHRM2CHRM1CHRM3GPR119
SCHEMBL372169 0.81 CHRM2 (0.55) HSD11B1CHRM2CHRM1CHRM3GPR119

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2840083-B1 NITROGENATED BICYCLIC AROMATIC HETEROCYCLIC COMPOUND ASTELLAS PHARMA INC (JP) 2017-09-13 EP disclosed
EP-2840083-B1 NITROGENATED BICYCLIC AROMATIC HETEROCYCLIC COMPOUND ASTELLAS PHARMA INC (JP) 2017-09-13 EP disclosed
US-9585889-B2 Nitrogen-containing bicyclic aromatic heterocyclic compound ASTELLAS PHARMA INC. (JP) 2017-03-07 US disclosed
US-9585889-B2 Nitrogen-containing bicyclic aromatic heterocyclic compound ASTELLAS PHARMA INC. (JP) 2017-03-07 US disclosed
US-9585889-B2 Nitrogen-containing bicyclic aromatic heterocyclic compound ASTELLAS PHARMA INC. (JP) 2017-03-07 US disclosed
US-20160228442-A1 NITROGEN-CONTAINING BICYCLIC AROMATIC HETEROCYCLIC COMPOUND ASTELLAS PHARMA INC. (JP) 2016-08-11 US disclosed
US-20160228442-A1 NITROGEN-CONTAINING BICYCLIC AROMATIC HETEROCYCLIC COMPOUND ASTELLAS PHARMA INC. (JP) 2016-08-11 US disclosed
US-20160228442-A1 NITROGEN-CONTAINING BICYCLIC AROMATIC HETEROCYCLIC COMPOUND ASTELLAS PHARMA INC. (JP) 2016-08-11 US disclosed
US-9328118-B2 Nitrogen-containing bicyclic aromatic heterocyclic compound ASTELLAS PHARMA INC. (JP) 2016-05-03 US disclosed
US-9328118-B2 Nitrogen-containing bicyclic aromatic heterocyclic compound ASTELLAS PHARMA INC. (JP) 2016-05-03 US disclosed
US-9328118-B2 Nitrogen-containing bicyclic aromatic heterocyclic compound ASTELLAS PHARMA INC. (JP) 2016-05-03 US disclosed
US-20150126488-A1 NITROGEN-CONTAINING BICYCLIC AROMATIC HETEROCYCLIC COMPOUND ASTELLAS PHARMA INC (JP) 2015-05-07 US disclosed
US-20150126488-A1 NITROGEN-CONTAINING BICYCLIC AROMATIC HETEROCYCLIC COMPOUND ASTELLAS PHARMA INC (JP) 2015-05-07 US disclosed
US-20150126488-A1 NITROGEN-CONTAINING BICYCLIC AROMATIC HETEROCYCLIC COMPOUND ASTELLAS PHARMA INC (JP) 2015-05-07 US disclosed
EP-2840083-A1 NITROGENATED BICYCLIC AROMATIC HETEROCYCLIC COMPOUND Astellas Pharma Inc. (JP) 2015-02-25 EP disclosed
EP-2840083-A1 NITROGENATED BICYCLIC AROMATIC HETEROCYCLIC COMPOUND Astellas Pharma Inc. (JP) 2015-02-25 EP 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-20160228442-A1 NITROGEN-CONTAINING BICYCLIC AROMATIC HETEROCYCLIC COMPOUND CTSS, CTSV, CTSB HSD11B1 4093/4885CHRM2 3676/4885CHRM1 3383/4885
US-20150126488-A1 NITROGEN-CONTAINING BICYCLIC AROMATIC HETEROCYCLIC COMPOUND CTSS, CTSV, CTSB HSD11B1 3775/4885CHRM2 3187/4885CHRM1 3051/4885

“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.