SCHEMBL20187863

SCHEMBL20187863

COc1cccc(OC)c1NC(=S)c1ccc(C(F)(F)F)o1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
S1PR2 O95136 2/20 0.38
S1PR4 O95977 2/20 0.38
S1PR3 Q99500 2/20 0.38
HPGD P15428 3/20 0.35
ALDH1A1 P00352 3/20 0.35
HTT P42858 1/20 0.35
DUSP3 P51452 3/20 0.35
PTPN7 P35236 2/20 0.35
PDK1 Q15118 1/20 0.35
PDK2 Q15119 1/20 0.35
PDK3 Q15120 1/20 0.35
PDK4 Q16654 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.34
GAA P10253 3/20 0.34
KDM4E B2RXH2 3/20 0.34
LMNA P02545 3/20 0.34
SMN1; SMN2 Q16637 3/20 0.34
KMT2A Q03164 2/20 0.34
MAPT P10636 2/20 0.34
MEN1 O00255 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
SCHEMBL21339499 0.85 S1PR2 (0.39) S1PR2S1PR4S1PR3HPGDALDH1A1
SCHEMBL20188227 0.84 S1PR4 (0.54) S1PR2S1PR4S1PR3HPGDALDH1A1
SCHEMBL20201306 0.84 S1PR2 (0.38) S1PR2S1PR4S1PR3HPGDALDH1A1
SCHEMBL20189753 0.81 S1PR2 (0.36) S1PR2S1PR4S1PR3ALDH1A1PDK1
SCHEMBL20189755 0.81 S1PR2 (0.36) S1PR2S1PR4S1PR3ALDH1A1PDK1
SCHEMBL20201311 0.81 S1PR2 (0.36) S1PR2S1PR4S1PR3ALDH1A1PDK1
SCHEMBL23026172 0.80 HPGD (0.44) S1PR2S1PR4S1PR3HPGDALDH1A1
SCHEMBL20188385 0.73 ALDH1A1 (0.48) HPGDALDH1A1HTTL3MBTL1GAA
SCHEMBL15484253 0.69 HPGD (0.51) HPGDALDH1A1HTTGAAKDM4E
SCHEMBL19573888 0.67 KMT2A (0.45) HPGDALDH1A1HTTGAAKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3541792-B1 TRIAZOLE FURAN COMPOUNDS AS AGONISTS OF THE APJ RECEPTOR AMGEN INC (US) 2020-12-23 EP disclosed
EP-3541792-B1 TRIAZOLE FURAN COMPOUNDS AS AGONISTS OF THE APJ RECEPTOR AMGEN INC (US) 2020-12-23 EP disclosed
US-10736883-B2 Triazole furan compounds as agonists of the APJ receptor AMGEN INC. (US) 2020-08-11 US disclosed
US-10736883-B2 Triazole furan compounds as agonists of the APJ receptor AMGEN INC. (US) 2020-08-11 US disclosed
EP-3541792-A1 TRIAZOLE FURAN COMPOUNDS AS AGONISTS OF THE APJ RECEPTOR Amgen Inc. (US) 2019-09-25 EP disclosed
US-20190275008-A1 TRIAZOLE FURAN COMPOUNDS AS AGONISTS OF THE APJ RECEPTOR AMGEN INC. (US) 2019-09-12 US disclosed
US-20190275008-A1 TRIAZOLE FURAN COMPOUNDS AS AGONISTS OF THE APJ RECEPTOR AMGEN INC. (US) 2019-09-12 US disclosed
WO-2018097944-A1 TRIAZOLE FURAN COMPOUNDS AS AGONISTS OF THE APJ RECEPTOR AMGEN INC. (US) 2018-05-31 WO disclosed
WO-2018097944-A1 TRIAZOLE FURAN COMPOUNDS AS AGONISTS OF THE APJ RECEPTOR AMGEN INC. (US) 2018-05-31 WO 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-20190275008-A1 TRIAZOLE FURAN COMPOUNDS AS AGONISTS OF THE APJ RECEPTOR TBXA2R, AGTR1, APLNR S1PR2 662/4885S1PR4 990/4885S1PR3 441/4885
US-10736883-B2 Triazole furan compounds as agonists of the APJ receptor TBXA2R, AGTR1, APLNR S1PR2 662/4885S1PR4 990/4885S1PR3 441/4885

“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.