SCHEMBL20530830

SCHEMBL20530830

COCCCS(=O)(=O)NCc1ccc(OC)cc1OC

nearest known ligand 0.54

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ APLNR P35414 1/20 0.54
▸ TP53 P04637 1/20 0.52
▸ ALDH1A1 P00352 2/20 0.43
▸ TSHR P16473 2/20 0.43
▸ TAS1R3 Q7RTX0 1/20 0.43
▸ TAS1R1 Q7RTX1 1/20 0.43
▸ NPSR1 Q6W5P4 1/20 0.43
▸ MAOB P27338 1/20 0.42
▸ HTR2A P28223 1/20 0.41
▸ HTR2C P28335 1/20 0.41
▸ GAA P10253 1/20 0.41
▸ PKM P14618 1/20 0.41
▸ HPGD P15428 1/20 0.41
▸ HTT P42858 1/20 0.41
▸ SMN1; SMN2 Q16637 1/20 0.41
▸ MAPT P10636 1/20 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
SCHEMBL11300017 0.87 TP53 (0.55) APLNRTP53ALDH1A1TSHRNPSR1
SCHEMBL22537210 0.87 APLNR (0.54) APLNRTP53ALDH1A1TSHRTAS1R3
SCHEMBL28970344 0.85 APLNR (0.58) APLNRTP53ALDH1A1TSHRHTR2A
SCHEMBL28452492 0.83 APLNR (0.63) APLNRTP53ALDH1A1TSHRTAS1R3
SCHEMBL22537209 0.82 APLNR (0.57) APLNRTP53ALDH1A1TSHRHTR2A
SCHEMBL11954292 0.80 TP53 (0.46) APLNRTP53HTR2AHTR2CGAA
SCHEMBL12492811 0.80 ALDH1A1 (0.53) APLNRTP53ALDH1A1TAS1R3TAS1R1
SCHEMBL1530735 0.79 APLNR (0.65) APLNRTP53ALDH1A1TSHRHTR2A
SCHEMBL11295823 0.78 APLNR (0.47) APLNRTP53ALDH1A1HTR2AHTR2C
SCHEMBL12525710 0.78 APLNR (0.49) APLNRTP53ALDH1A1HTR2AHTR2C

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3388425-B1 AMINOAZOLE DERIVATIVE TEIJIN PHARMA LTD (JP) 2020-08-05 — — EP disclosed
US-10689354-B2 Aminoazole derivative TEIJIN PHARMA LIMITED (JP) 2020-06-23 — — US disclosed
US-20190031628-A1 AMINOAZOLE DERIVATIVE TEIJIN PHARMA LIMITED (JP) 2019-01-31 — — US disclosed
EP-3388425-A1 AMINOAZOLE DERIVATIVE Teijin Pharma Limited (JP) 2018-10-17 — — EP 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 (2 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-10689354-B2 Aminoazole derivative AR, NR3C2, NR5A1 APLNR 198/4885TP53 1960/4885ALDH1A1 1853/4885
US-20190031628-A1 AMINOAZOLE DERIVATIVE AR, NR3C2, NR5A1 APLNR 198/4885TP53 1960/4885ALDH1A1 1853/4885

“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.

Send feedback