Sugi Predict

Sugi Predict / Compounds / SCHEMBL19743047

SCHEMBL19743047

SCHEMBL19743047

CC1CN(S(=O)(=O)c2c(N)n(C3CCCCC3)c3nccnc23)CC(C)O1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 4/20 0.36
▸ TSHR P16473 2/20 0.36
▸ HTT P42858 2/20 0.36
▸ PKM P14618 1/20 0.34
▸ ACLY P53396 1/20 0.34
▸ ALDH1A1 P00352 4/20 0.33
▸ ADORA3 P0DMS8 2/20 0.33
▸ ADORA2A P29274 2/20 0.33
▸ ADORA1 P30542 2/20 0.33
▸ HSD17B10 Q99714 2/20 0.33
▸ NPSR1 Q6W5P4 1/20 0.32
▸ KDM4E B2RXH2 2/20 0.32
▸ GAA P10253 2/20 0.32
▸ TP53 P04637 1/20 0.32
▸ L3MBTL1 Q9Y468 1/20 0.32
▸ LMNA P02545 2/20 0.32
▸ NPC1 O15118 1/20 0.32
▸ RECQL P46063 1/20 0.32
▸ ADORA2B P29275 1/20 0.32
▸ CXCR2 P25025 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
SCHEMBL19742981 0.85 KMT2A (0.37) SMN1; SMN2TSHRHTTALDH1A1ADORA3
SCHEMBL19742999 0.85 ADORA3 (0.33) SMN1; SMN2ALDH1A1ADORA3ADORA2AADORA1
SCHEMBL19742995 0.84 KMT2A (0.39) HTTALDH1A1ADORA3ADORA2AADORA1
SCHEMBL19743025 0.84 KMT2A (0.40) HTTALDH1A1ADORA3ADORA2AADORA1
SCHEMBL19743046 0.84 KMT2A (0.40) HTTALDH1A1ADORA3ADORA2AADORA1
SCHEMBL19743062 0.84 KMT2A (0.40) HTTALDH1A1ADORA3ADORA2AADORA1
SCHEMBL19742986 0.84 KMT2A (0.43) SMN1; SMN2TSHRHTTALDH1A1HSD17B10
SCHEMBL19743053 0.83 MEN1 (0.36) ALDH1A1ADORA3ADORA2AADORA1HSD17B10
SCHEMBL19742988 0.82 APOBEC3A (0.39) TSHRALDH1A1ADORA3ADORA2AADORA1
SCHEMBL19743057 0.82 SMN1; SMN2 (0.40) SMN1; SMN2TSHRHTTALDH1A1ADORA3

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 SMN1; SMN2 4133/4885TSHR 1550/4885HTT 3484/4885

“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.