SCHEMBL19742987

SCHEMBL19742987

CC(C)(C)CCn1c(N)c(S(=O)(=O)c2ccccc2)c2nccnc21

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SAE1 Q9UBE0 1/20 0.51
UBA2 Q9UBT2 1/20 0.51
KDM4E B2RXH2 13/20 0.48
GLA P06280 8/20 0.48
MAPT P10636 6/20 0.48
ATM Q13315 2/20 0.48
ALDH1A1 P00352 10/20 0.45
GAA P10253 9/20 0.45
HPGD P15428 6/20 0.45
HTR6 P50406 4/20 0.45
LMNA P02545 1/20 0.43
HTT P42858 1/20 0.43
RAB9A P51151 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
KMT2A Q03164 3/20 0.43
MEN1 O00255 2/20 0.43
NPSR1 Q6W5P4 2/20 0.43
PKM P14618 3/20 0.41
ALOX15 P16050 3/20 0.41
CASP1 P29466 3/20 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
SCHEMBL19742978 0.85 SAE1 (0.70) SAE1UBA2KDM4EGLAMAPT
SCHEMBL17377283 0.83 SAE1 (0.47) SAE1UBA2KDM4EGLAMAPT
SCHEMBL19743010 0.81 SAE1 (0.46) SAE1UBA2KDM4EGLAMAPT
SCHEMBL19743003 0.76 SAE1 (0.48) SAE1UBA2KDM4EGLAMAPT
SCHEMBL19743042 0.76 KDM4E (0.46) SAE1UBA2KDM4EGLAMAPT
SCHEMBL15256919 0.74 KDM4E (0.68) SAE1UBA2KDM4EGLAMAPT
SCHEMBL19742984 0.69 KDM4E (0.62) SAE1UBA2KDM4EMAPTALDH1A1
SCHEMBL17378947 0.68 KDM4E (0.61) KDM4EMAPTALDH1A1GAAHPGD
SCHEMBL19742980 0.68 KDM4E (0.49) SAE1UBA2KDM4EMAPTALDH1A1
SCHEMBL15256914 0.67 SAE1 (1.00) SAE1UBA2KDM4EGLAMAPT

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 SAE1 2388/4885UBA2 1863/4885KDM4E 556/4885

“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.