SCHEMBL20188502

SCHEMBL20188502

O=S(=O)(O)CCc1ccc(Br)cn1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 4/20 0.39
▸ KDM4E B2RXH2 1/20 0.39
▸ GBA1 P04062 1/20 0.37
▸ LMNA P02545 1/20 0.35
▸ APLNR P35414 1/20 0.35
▸ TSHR P16473 1/20 0.34
▸ ADRA2A P08913 2/20 0.33
▸ ADRA2B P18089 2/20 0.33
▸ ADRA2C P18825 2/20 0.33
▸ GRM2 Q14416 1/20 0.33
▸ GLS O94925 1/20 0.33
▸ PLAU P00749 1/20 0.33
▸ HTR2A P28223 1/20 0.33
▸ HTR2C P28335 1/20 0.33
▸ KCNH2 Q12809 1/20 0.33
▸ RAB9A P51151 2/20 0.33
▸ FDPS P14324 1/20 0.33
▸ NPC1 O15118 2/20 0.32
▸ MAPT P10636 1/20 0.32
▸ KMT2A Q03164 1/20 0.32

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
SCHEMBL15612500 0.82 GBA1 (0.41) ALDH1A1KDM4EGBA1LMNAAPLNR
SCHEMBL20188399 0.82 GBA1 (0.37) ALDH1A1KDM4EGBA1LMNAAPLNR
SCHEMBL8847221 0.80 HTR2A (0.41) ALDH1A1KDM4ELMNATSHRGRM2
SCHEMBL31419101 0.79 HTR2A (0.33) LMNAHTR2AHTR2CKCNH2
SCHEMBL4706111 0.79 KDM4E (0.38) KDM4ELMNATSHRRAB9A
SCHEMBL5650 0.75 GBA1 (0.42) ALDH1A1KDM4EGBA1TSHRADRA2A
SCHEMBL506458 0.74 — —
SCHEMBL3515895 0.73 FFAR1 (0.55) ALDH1A1KDM4ETSHRGLSRAB9A
SCHEMBL21552702 0.72 GBA1 (0.44) ALDH1A1KDM4EGBA1TSHRADRA2A
SCHEMBL3515320 0.72 CYP11B1 (0.41) ALDH1A1KDM4EGBA1TSHRADRA2A

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 5 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
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
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 ALDH1A1 1700/4885KDM4E 4612/4885GBA1 4855/4885
US-10736883-B2 Triazole furan compounds as agonists of the APJ receptor TBXA2R, AGTR1, APLNR ALDH1A1 1700/4885KDM4E 4612/4885GBA1 4855/4885

“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.

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