SCHEMBL19742973

SCHEMBL19742973

CC1CCCN1S(=O)(=O)c1c(N)n(C2CCCCC2)c2nccnc12

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 1/20 0.44
AKR1C3 P42330 8/20 0.38
PSEN1 P49768 1/20 0.38
PSEN2 P49810 1/20 0.38
APH1B Q8WW43 1/20 0.38
NCSTN Q92542 1/20 0.38
APH1A Q96BI3 1/20 0.38
PSENEN Q9NZ42 1/20 0.38
ALDH1A1 P00352 2/20 0.37
HTT P42858 1/20 0.37
LMNA P02545 3/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
ADORA3 P0DMS8 1/20 0.34
ADORA2A P29274 1/20 0.34
ADORA1 P30542 1/20 0.34
KMT2A Q03164 1/20 0.33

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
SCHEMBL19742995 0.83 KMT2A (0.39) AKR1C3ALDH1A1HTTLMNAADORA3
SCHEMBL19742986 0.83 KMT2A (0.43) AKR1C3ALDH1A1HTTLMNASMN1; SMN2
SCHEMBL19743025 0.82 KMT2A (0.40) ALDH1A1HTTLMNAADORA3ADORA2A
SCHEMBL19743062 0.82 KMT2A (0.40) ALDH1A1HTTLMNAADORA3ADORA2A
SCHEMBL19743046 0.82 KMT2A (0.40) ALDH1A1HTTLMNAADORA3ADORA2A
SCHEMBL19742981 0.81 KMT2A (0.37) AKR1C3ALDH1A1HTTLMNASMN1; SMN2
SCHEMBL19742988 0.81 APOBEC3A (0.39) ALDH1A1ADORA3ADORA2AADORA1KMT2A
SCHEMBL19742985 0.79 MAPK1 (0.34) ALDH1A1SMN1; SMN2ADORA3ADORA2AADORA1
SCHEMBL19743047 0.79 SMN1; SMN2 (0.36) ALDH1A1HTTLMNASMN1; SMN2ADORA3
SCHEMBL19743057 0.79 SMN1; SMN2 (0.40) ALDH1A1HTTLMNASMN1; SMN2ADORA3

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 ALOX15 1045/4885AKR1C3 387/4885PSEN1 4724/4885

“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.