SCHEMBL20168848

SCHEMBL20168848

O=S(=O)(O)CCc1ncc(Cl)cn1.[NaH]

nearest known ligand 0.46

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ APLNR P35414 2/20 0.46
▸ LMNA P02545 1/20 0.33
▸ L3MBTL1 Q9Y468 1/20 0.33
▸ NFE2L2 Q16236 2/20 0.31
▸ POLB P06746 2/20 0.31
▸ RAB9A P51151 1/20 0.31
▸ KDM4E B2RXH2 1/20 0.30

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
SCHEMBL19551005 0.98 APLNR (0.47) APLNRLMNAL3MBTL1NFE2L2POLB
SCHEMBL22395409 0.81 APLNR (0.42) APLNRKDM4E
SCHEMBL19550276 0.78 APLNR (0.47) APLNRLMNAL3MBTL1NFE2L2POLB
SCHEMBL20188219 0.78 APLNR (0.43) APLNRLMNAKDM4E
SCHEMBL18246405 0.78 APLNR (0.67) APLNRLMNA
SCHEMBL26097655 0.77 APLNR (0.39) APLNRLMNAL3MBTL1KDM4E
SCHEMBL31339421 0.77 APLNR (0.46) APLNRLMNAL3MBTL1NFE2L2POLB
SCHEMBL4706111 0.74 KDM4E (0.38) LMNAL3MBTL1NFE2L2POLBRAB9A
SCHEMBL4704224 0.68 TAAR1 (0.45) —
SCHEMBL769695 0.67 ALDH1A1 (0.46) L3MBTL1KDM4E

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
US-11020395-B2 Cycloalkyl substituted triazole compounds as agonists of the APJ receptor AMGEN INC. (US) 2021-06-01 — — US disclosed
US-20190290648-A1 CYCLOALKYL SUBSTITUTED TRIAZOLE COMPOUNDS AS AGONISTS OF THE APJ RECEPTOR AMGEN INC. (US) 2019-09-26 — — US disclosed
EP-3541804-A1 CYCLOALKYL SUBSTITUTED TRIAZOLE COMPOUNDS AS AGONISTS OF THE APJ RECEPTOR Amgen Inc. (US) 2019-09-25 — — EP disclosed
WO-2018093577-A1 CYCLOALKYL SUBSTITUTED TRIAZOLE COMPOUNDS AS AGONISTS OF THE APJ RECEPTOR AMGEN INC. (US) 2018-05-24 — — 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-11020395-B2 Cycloalkyl substituted triazole compounds as agonists of the APJ receptor AGTR1, AGTR2, TBXA2R APLNR 4/4885LMNA 3301/4885L3MBTL1 4842/4885
US-20190290648-A1 CYCLOALKYL SUBSTITUTED TRIAZOLE COMPOUNDS AS AGONISTS OF THE APJ RECEPTOR AGTR1, AGTR2, TBXA2R APLNR 4/4885LMNA 3301/4885L3MBTL1 4842/4885

“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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