SCHEMBL19743020

SCHEMBL19743020

COc1cccc(S(=O)(=O)c2c(N)n(C3CCCCC3)c3nccnc23)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.44
KDM4E B2RXH2 2/20 0.44
GAA P10253 2/20 0.44
FFAR2 O15552 3/20 0.41
CTSD P07339 1/20 0.40
CTSE P14091 1/20 0.40
BACE1 P56817 1/20 0.40
GLO1 Q04760 1/20 0.40
SLC40A1 Q9NP59 1/20 0.40
HTR6 P50406 3/20 0.40
PIK3CA P42336 2/20 0.40
NFE2L2 Q16236 2/20 0.38
ABL1 P00519 1/20 0.38
EGFR P00533 1/20 0.38
SRC P12931 1/20 0.38
ABL2 P42684 1/20 0.38
PRKDC P78527 1/20 0.37
MEN1 O00255 1/20 0.37
MAPT P10636 1/20 0.37
THRB P10828 1/20 0.37

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
SCHEMBL17377299 0.88 FFAR2 (0.48) ALDH1A1KDM4EGAAFFAR2
SCHEMBL19754834 0.87 KDM4E (0.48) ALDH1A1KDM4EGAAFFAR2SLC40A1
SCHEMBL19743068 0.85 FFAR2 (0.48) ALDH1A1KDM4EGAAFFAR2HTR6
SCHEMBL17378947 0.84 KDM4E (0.61) ALDH1A1KDM4EGAAFFAR2HTR6
SCHEMBL19743033 0.83 HTR6 (0.37) ALDH1A1KDM4EGAAFFAR2CTSD
SCHEMBL17377212 0.83 FFAR2 (0.41) ALDH1A1KDM4EGAAFFAR2MEN1
SCHEMBL19743001 0.81 FFAR2 (0.50) ALDH1A1KDM4EGAAFFAR2PIK3CA
SCHEMBL19742984 0.81 KDM4E (0.62) ALDH1A1KDM4EGAAFFAR2HTR6
SCHEMBL17378959 0.80 KDM4E (0.47) ALDH1A1KDM4EGAAFFAR2MEN1
SCHEMBL17378957 0.80 KDM4E (0.47) ALDH1A1KDM4EGAAFFAR2MEN1

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 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 ALDH1A1 1063/4885KDM4E 556/4885GAA 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.