SCHEMBL19742992

SCHEMBL19742992

O=C1c2ccccc2C(=O)N1c1c(S(=O)(=O)c2ccc(OC(F)F)cc2)c2nccnc2n1C1CCCCC1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FFAR2 O15552 2/20 0.41
ALDH1A1 P00352 5/20 0.35
KDM4E B2RXH2 3/20 0.35
GAA P10253 3/20 0.35
KMT2A Q03164 3/20 0.35
HPGD P15428 2/20 0.35
MEN1 O00255 2/20 0.35
MAPT P10636 1/20 0.35
THRB P10828 1/20 0.35
DNMT1 P26358 1/20 0.35
BLM P54132 1/20 0.35
PLEC Q15149 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
HSP90AA1 P07900 1/20 0.33
HTT P42858 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
TLR9 Q9NR96 1/20 0.33
CYP1A2 P05177 1/20 0.32
CYP3A4 P08684 1/20 0.32
CYP2D6 P10635 1/20 0.32

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
SCHEMBL17379164 0.89 FFAR2 (0.39) FFAR2ALDH1A1KDM4EGAAKMT2A
SCHEMBL19743064 0.88 CCR9 (0.39) ALDH1A1KDM4EGAAKMT2AHPGD
SCHEMBL19754833 0.86 KMT2A (0.40) FFAR2ALDH1A1KDM4EGAAKMT2A
SCHEMBL19743049 0.83 ALDH1A1 (0.36) ALDH1A1KDM4EGAAKMT2AHPGD
SCHEMBL17377289 0.82 FFAR2 (0.50) FFAR2ALDH1A1KDM4EGAAKMT2A
SCHEMBL19743029 0.81 HTR6 (0.40) FFAR2ALDH1A1KDM4EGAAKMT2A
SCHEMBL19743054 0.81 FFAR2 (0.41) FFAR2ALDH1A1KDM4EGAAKMT2A
SCHEMBL19743033 0.81 HTR6 (0.37) FFAR2ALDH1A1KDM4EGAAKMT2A
SCHEMBL19743036 0.80 HTR6 (0.40) FFAR2ALDH1A1KDM4EGAAKMT2A
SCHEMBL17378952 0.79 ALDH1A1 (0.37) ALDH1A1KDM4EGAAKMT2AHPGD

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 2 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 disclosed
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 380/4885ALDH1A1 1063/4885KDM4E 556/4885

“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.