SCHEMBL19743042

SCHEMBL19743042

Nc1c(S(=O)(=O)c2ccccc2)c2nccnc2n1CC1CCCC1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 8/20 0.46
ALDH1A1 P00352 6/20 0.46
GAA P10253 6/20 0.46
HPGD P15428 4/20 0.46
GLA P06280 4/20 0.46
MAPT P10636 3/20 0.46
CASP1 P29466 3/20 0.46
CASP7 P55210 3/20 0.46
HSD17B10 Q99714 3/20 0.46
ALOX15 P16050 2/20 0.46
POLB P06746 1/20 0.46
THRB P10828 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
FFAR2 O15552 8/20 0.44
SAE1 Q9UBE0 1/20 0.43
UBA2 Q9UBT2 1/20 0.43
CNR2 P34972 1/20 0.41
ATM Q13315 2/20 0.41
KMT2A Q03164 2/20 0.41
MEN1 O00255 1/20 0.41

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
SCHEMBL19743010 0.87 SAE1 (0.46) KDM4EALDH1A1GAAHPGDGLA
SCHEMBL17377283 0.84 SAE1 (0.47) KDM4EALDH1A1GAAHPGDGLA
SCHEMBL17377280 0.82 FFAR2 (0.44) KDM4EALDH1A1GAAHPGDGLA
SCHEMBL17378947 0.79 KDM4E (0.61) KDM4EALDH1A1GAAHPGDMAPT
SCHEMBL17377286 0.78 KDM4E (0.53) KDM4EALDH1A1GAAHPGDGLA
SCHEMBL19742984 0.78 KDM4E (0.62) KDM4EALDH1A1GAAHPGDMAPT
SCHEMBL19742978 0.77 SAE1 (0.70) KDM4EALDH1A1GAAHPGDGLA
SCHEMBL19743038 0.76 KDM4E (0.49) KDM4EALDH1A1GAAHPGDMAPT
SCHEMBL19742980 0.76 KDM4E (0.49) KDM4EALDH1A1GAAHPGDMAPT
SCHEMBL19742987 0.76 SAE1 (0.51) KDM4EALDH1A1GAAHPGDGLA

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-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
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 KDM4E 556/4885ALDH1A1 1063/4885GAA 3284/4885

“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.