SCHEMBL17669442

SCHEMBL17669442

Cc1cc(OC2CCS(=O)(=O)CC2)ccc1B1OC(C)(C)C(C)(C)O1

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 3/20 0.39
CYP2D6 P10635 1/20 0.39
KCNH2 Q12809 1/20 0.39
FFAR1 O14842 10/20 0.36
DRD4 P21917 1/20 0.34
ADRA1D P25100 1/20 0.34
DRD3 P35462 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.33
MAOA P21397 1/20 0.33
MAOB P27338 1/20 0.33
CA1 P00915 1/20 0.32
CA2 P00918 1/20 0.32
CA9 Q16790 1/20 0.32
PIK3CD O00329 2/20 0.31
PIK3CA P42336 2/20 0.31
SLC6A2 P23975 1/20 0.30
SLC6A4 P31645 1/20 0.30
SLC6A3 Q01959 1/20 0.30

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
SCHEMBL17669544 0.84 HRH3 (0.36) HRH3FFAR1
SCHEMBL28769751 0.81 CA1 (0.47) HRH3CYP2D6KCNH2CA1CA2
SCHEMBL21835740 0.79 LIPE (0.32) CA1CA2CA9
SCHEMBL17669557 0.79 SOS1 (0.32) FFAR1
SCHEMBL31673370 0.78 CA1 (0.33) HRH3KCNH2MAOAMAOBCA1
SCHEMBL20836320 0.78 CA1 (0.33) HRH3KCNH2MAOAMAOBCA1
SCHEMBL31752901 0.75 GPR119 (0.50) HRH3
SCHEMBL31150269 0.74 HRH3 (0.37) HRH3
SCHEMBL25793692 0.74 HRH3 (0.37) HRH3
SCHEMBL17669570 0.73 SMN1; SMN2 (0.41) HRH3CYP2D6KCNH2FFAR1DRD4

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
US-10662170-B2 Substituted benzothiophenyl derivatives as GPR40 agonists for the treatment of type II diabetes JANSSEN PHARMACEUTICA NV (BE) 2020-05-26 US disclosed
US-10195178-B2 GPR40 agonists in anti-diabetic drug combinations JANSSEN PHARMACEUTICA NV (BE) 2019-02-05 US disclosed
US-10131648-B2 Substituted benzothiophenyl derivatives as GPR40 agonists for the treatment of type II diabetes JANSSEN PHARMACEUTICA NV (BE) 2018-11-20 US disclosed
US-20170362196-A1 SUBSTITUTED BENZOTHIOPHENYL DERIVATIVES AS GPR40 AGONISTS FOR THE TREATMENT OF TYPE II DIABETES JANSSEN PHARMACEUTICA NV (BE) 2017-12-21 US disclosed
WO-2017180457-A1 GPR40 AGONISTS IN ANTI-DIABETIC DRUG COMBINATIONS JANSSEN PHARMACEUTICA NV (BE) 2017-10-19 WO disclosed
US-9790198-B2 Substituted benzothiophenyl derivatives as GPR40 agonists for the treatment of type II diabetes JANSSEN PHARMACEUTICA NV (BE) 2017-10-17 US disclosed
US-20170290800-A1 GPR40 AGONISTS IN ANTI-DIABETIC DRUG COMBINATIONS JANSSEN PHARMACEUTICA NV (BE) 2017-10-12 US disclosed
EP-3204361-A1 SUBSTITUTED BENZOTHIOPHENYL DERIVATIVES AS GPR40 AGONISTS FOR THE TREATMENT OF TYPE II DIABETES Janssen Pharmaceutica N.V. (BE) 2017-08-16 EP disclosed
WO-2016057731-A1 SUBSTITUTED BENZOTHIOPHENYL DERIVATIVES AS GPR40 AGONISTS FOR THE TREATMENT OF TYPE II DIABETES JANSSEN PHARMACEUTICA NV (BE) 2016-04-14 WO disclosed
US-20160102071-A1 SUBSTITUTED BENZOTHIOPHENYL DERIVATIVES AS GPR40 AGONISTS FOR THE TREATMENT OF TYPE II DIABETES JANSSEN PHARMACEUTICA NV (BE) 2016-04-14 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 (6 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-20170290800-A1 GPR40 AGONISTS IN ANTI-DIABETIC DRUG COMBINATIONS GPR119, GLP1R, GPR65 HRH3 920/4885CYP2D6 1509/4885KCNH2 1139/4885
US-10195178-B2 GPR40 agonists in anti-diabetic drug combinations GPR119, GLP1R, GPR65 HRH3 920/4885CYP2D6 1509/4885KCNH2 1139/4885
US-20170362196-A1 SUBSTITUTED BENZOTHIOPHENYL DERIVATIVES AS GPR40 AGONISTS FOR THE TREATMENT OF TYPE II DIABETES GPR119, GPR52, GPR65 HRH3 473/4885CYP2D6 1974/4885KCNH2 1797/4885
US-10662170-B2 Substituted benzothiophenyl derivatives as GPR40 agonists for the treatment of type II diabetes GPR119, GPR52, GPR65 HRH3 473/4885CYP2D6 1974/4885KCNH2 1797/4885
US-10131648-B2 Substituted benzothiophenyl derivatives as GPR40 agonists for the treatment of type II diabetes GPR119, GPR52, GPR65 HRH3 473/4885CYP2D6 1974/4885KCNH2 1797/4885
US-20160102071-A1 SUBSTITUTED BENZOTHIOPHENYL DERIVATIVES AS GPR40 AGONISTS FOR THE TREATMENT OF TYPE II DIABETES GPR119, GPR52, GPR65 HRH3 473/4885CYP2D6 1974/4885KCNH2 1797/4885

“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.