Sugi Predict

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SCHEMBL19742995

SCHEMBL19742995

CC1CCN(S(=O)(=O)c2c(N)n(C3CCCCC3)c3nccnc23)CC1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 2/20 0.39
▸ MEN1 O00255 1/20 0.39
▸ TDP1 Q9NUW8 1/20 0.39
▸ EBP Q15125 2/20 0.39
▸ DHCR7 Q9UBM7 2/20 0.39
▸ LMNA P02545 2/20 0.37
▸ TP53 P04637 1/20 0.36
▸ ALDH1A1 P00352 1/20 0.35
▸ HTT P42858 1/20 0.35
▸ MAPK1 P28482 1/20 0.35
▸ AKR1C3 P42330 1/20 0.35
▸ ADORA3 P0DMS8 1/20 0.34
▸ ADORA2A P29274 1/20 0.34
▸ ADORA1 P30542 1/20 0.34
▸ TOP1 P11387 1/20 0.34
▸ CCND1 P24385 1/20 0.34
▸ CCNE1 P24864 1/20 0.34
▸ CDK2 P24941 1/20 0.34
▸ CDK6 Q00534 1/20 0.34
▸ MCOLN3 Q8TDD5 1/20 0.34

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 0.93 KMT2A (0.37) KMT2AMEN1TDP1EBPDHCR7
SCHEMBL19743025 0.91 KMT2A (0.40) KMT2AMEN1EBPDHCR7LMNA
SCHEMBL19743046 0.91 KMT2A (0.40) KMT2AMEN1EBPDHCR7LMNA
SCHEMBL19743062 0.91 KMT2A (0.40) KMT2AMEN1EBPDHCR7LMNA
SCHEMBL19742988 0.89 APOBEC3A (0.39) KMT2AMEN1ALDH1A1MAPK1ADORA3
SCHEMBL19743015 0.89 MEN1 (0.36) KMT2AMEN1TDP1EBPDHCR7
SCHEMBL19742986 0.88 KMT2A (0.43) KMT2ALMNATP53ALDH1A1HTT
SCHEMBL19743019 0.88 HSD11B1 (0.39) EBPDHCR7TP53MAPK1ADORA3
SCHEMBL19742985 0.87 MAPK1 (0.34) KMT2AMEN1TDP1EBPDHCR7
SCHEMBL19743034 0.87 MEN1 (0.35) KMT2AMEN1TDP1ALDH1A1MAPK1

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 KMT2A 1992/4885MEN1 2891/4885TDP1 3007/4885

“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.