SCHEMBL17377299

SCHEMBL17377299

COc1ccc(S(=O)(=O)c2c(N)n(C3CCCCC3)c3nccnc23)cc1

nearest known ligand 0.48

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
FFAR2 O15552 4/20 0.48
KDM4E B2RXH2 3/20 0.45
ALDH1A1 P00352 3/20 0.45
GAA P10253 2/20 0.45
CHRM2 P08172 10/20 0.43
CHRM1 P11229 5/20 0.43
CHRM4 P08173 3/20 0.43
CHRM3 P20309 3/20 0.43
CYP2D6 P10635 1/20 0.41
CYP2C19 P33261 1/20 0.41
CA12 O43570 1/20 0.40
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
CA9 Q16790 1/20 0.40
HTT P42858 1/20 0.39

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
SCHEMBL17377200 0.89 KDM4E (0.43) FFAR2KDM4EALDH1A1GAACHRM2
SCHEMBL17378957 0.88 KDM4E (0.47) FFAR2KDM4EALDH1A1GAACHRM2
SCHEMBL17378959 0.88 KDM4E (0.47) FFAR2KDM4EALDH1A1GAACHRM2
SCHEMBL19743020 0.88 ALDH1A1 (0.44) FFAR2KDM4EALDH1A1GAA
SCHEMBL19742975 0.88 FFAR2 (0.47) FFAR2KDM4EALDH1A1GAACHRM2
SCHEMBL17378989 0.87 KDM4E (0.48) FFAR2KDM4EALDH1A1GAACHRM2
SCHEMBL17377289 0.87 FFAR2 (0.50) FFAR2KDM4EALDH1A1GAACHRM2
SCHEMBL19743001 0.87 FFAR2 (0.50) FFAR2KDM4EALDH1A1GAAHTT
SCHEMBL17377225 0.87 KDM4E (0.43) FFAR2KDM4EALDH1A1GAA
SCHEMBL17378958 0.86 ALDH1A1 (0.47) FFAR2KDM4EALDH1A1GAACHRM2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170369492-A1 1,3-SUBSTITUTED 2-AMINO-INDOLE DERIVATIVES AND ANALOGUES USEFUL IN THE TREATMENT OR PREVENTION OF DIABETES MELLITUS, OBESITY, AND INFLAMMATORY BOWEL DISEASE TAKEDA PHARMACEUTICALS CO (JP) 2017-12-28 US claimed
EP-3160955-A1 1,3-SUBSTITUTED 2-AMINOINDOLE DERIVATIVES AND ANALOGUES USEFUL IN THE TREATMENT OR PREVENTION OF DIABETES MELLITUS, OBESITY AND INFLAMMATORY BOWEL DISEASE Takeda Pharmaceutical Company Limited (JP) 2017-05-03 EP claimed
WO-2015198046-A1 1,3-SUBSTITUTED 2-AMINOINDOLE DERIVATIVES AND ANALOGUES USEFUL IN THE TREATMENT OR PREVENTION OF DIABETES MELLITUS, OBESITY AND INFLAMMATORY BOWEL DISEASE TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2015-12-30 WO claimed
US-20170369492-A1 1,3-SUBSTITUTED 2-AMINO-INDOLE DERIVATIVES AND ANALOGUES USEFUL IN THE TREATMENT OR PREVENTION OF DIABETES MELLITUS, OBESITY, AND INFLAMMATORY BOWEL DISEASE TAKEDA PHARMACEUTICALS CO (JP) 2017-12-28 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-20170369492-A1 1,3-SUBSTITUTED 2-AMINO-INDOLE DERIVATIVES AND ANALOGUES USEFUL IN THE TREATMENT OR PREVENTION OF DIABETES MELLITUS, OBESITY, AND INFLAMMATORY BOWEL DISEASE GPR119, IDO1, IDO2 FFAR2 380/4885KDM4E 556/4885ALDH1A1 1063/4885

“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.