SCHEMBL19743075

SCHEMBL19743075

COc1ccc(S(=O)(=O)c2c(N3C(=O)c4ccccc4C3=O)n(C3CCCCC3)c3nccnc23)cc1Cl

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.36
SMN1; SMN2 Q16637 3/20 0.36
HPGD P15428 1/20 0.36
GAA P10253 1/20 0.35
MAPK1 P28482 2/20 0.35
TNF P01375 1/20 0.35
LITAF Q99732 1/20 0.35
PTGS2 P35354 2/20 0.35
LMNA P02545 1/20 0.35
HTT P42858 1/20 0.35
FFAR2 O15552 1/20 0.35
PTGS1 P23219 1/20 0.35
PDE4A P27815 1/20 0.35
PDE4B Q07343 1/20 0.35
PDE4C Q08493 1/20 0.35
PDE4D Q08499 1/20 0.35
TDP1 Q9NUW8 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
SCHEMBL17379164 0.86 FFAR2 (0.39) HPGDGAAFFAR2
SCHEMBL19743033 0.86 HTR6 (0.37) HPGDGAATNFLITAFFFAR2
SCHEMBL19754833 0.84 KMT2A (0.40) SMN1; SMN2HPGDGAAMAPK1LMNA
SCHEMBL19743054 0.84 FFAR2 (0.41) TP53SMN1; SMN2HPGDGAATNF
SCHEMBL17377212 0.83 FFAR2 (0.41) TP53SMN1; SMN2HPGDGAAMAPK1
SCHEMBL19743029 0.81 HTR6 (0.40) HPGDGAAFFAR2
SCHEMBL19742996 0.81 KDM4E (0.37) HPGDGAAMAPK1TNFLITAF
SCHEMBL19743049 0.79 ALDH1A1 (0.36) SMN1; SMN2HPGDGAAMAPK1PDE4A
SCHEMBL17378948 0.79 ALDH1A1 (0.37) SMN1; SMN2HPGDGAATNFLITAF
SCHEMBL19742992 0.79 FFAR2 (0.41) SMN1; SMN2HPGDGAAHTTFFAR2

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 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 TP53 4149/4885SMN1; SMN2 4133/4885HPGD 2816/4885

“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.