SCHEMBL21722804

SCHEMBL21722804

CC(=O)c1cc(C(F)(F)F)ccc1/C=C/C1CN(C(=O)O)C1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NOTUM Q6P988 1/20 0.36
▸ RAB9A P51151 1/20 0.35
▸ KDM4E B2RXH2 2/20 0.35
▸ ALDH1A1 P00352 2/20 0.35
▸ HPGD P15428 2/20 0.35
▸ HSD17B10 Q99714 2/20 0.35
▸ USP2 O75604 1/20 0.35
▸ CYP2C19 P33261 1/20 0.35
▸ LIPG Q9Y5X9 7/20 0.35
▸ FKBP1A P62942 1/20 0.35
▸ CES2 O00748 2/20 0.35
▸ LIPC P11150 3/20 0.34
▸ SLC6A9 P48067 1/20 0.33
▸ SLC6A5 Q9Y345 1/20 0.33
▸ LPL P06858 1/20 0.33
▸ HRH4 Q9H3N8 1/20 0.33
▸ SORT1 Q99523 1/20 0.33
▸ ENPP2 Q13822 1/20 0.33
▸ SCN9A Q15858 1/20 0.33
▸ TRPV1 Q8NER1 1/20 0.33

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
SCHEMBL21722865 0.85 RORC (0.41) ENPP2
SCHEMBL21723029 0.84 CYP1A1 (0.42) NOTUMLIPGCES2HRH4
SCHEMBL22462807 0.84 CYP1A1 (0.42) NOTUMLIPGCES2HRH4
SCHEMBL22462773 0.83 NOTUM (0.35) NOTUMALDH1A1HPGDCES2ENPP2
SCHEMBL21381915 0.77 CYP1A2 (0.49) —
SCHEMBL27400930 0.71 TEAD1 (0.45) HRH4
SCHEMBL21723062 0.71 MGLL (0.42) NOTUMRAB9AKDM4EALDH1A1HPGD
SCHEMBL29511830 0.71 RORC (0.43) ENPP2
SCHEMBL22462815 0.71 RORC (0.43) ENPP2
SCHEMBL23091781 0.71 NFE2L2 (0.39) RAB9AALDH1A1HPGDHRH4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3837263-B1 NEW HETEROCYCLIC COMPOUNDS AS MONOACYLGLYCEROL LIPASE INHIBITORS HOFFMANN LA ROCHE (CH) 2024-07-03 — — EP disclosed
US-20240150373-A1 HETEROCYCLIC COMPOUNDS AS MONOACYLGLYCEROL LIPASE INHIBITORS HOFFMANN-LA ROCHE INC. (US) 2024-05-09 — — US disclosed
US-11802133-B2 Heterocyclic compounds as monoacylglycerol lipase inhibitors HOFFMANN-LA ROCHE INC. (US) 2023-10-31 — — US disclosed
US-20230050901-A1 HETEROCYCLIC COMPOUNDS AS MONOACYLGLYCEROL LIPASE INHIBITORS HOFFMANN-LA ROCHE INC. (US) 2023-02-16 — — US disclosed
US-20210277020-A1 HETEROCYCLIC COMPOUNDS AS MONOACYLGLYCEROL LIPASE INHIBITORS HOFFMANN-LA ROCHE INC. (US) 2021-09-09 — — US disclosed
EP-3837264-A1 NEW HETEROCYCLIC COMPOUNDS AS MONOACYLGLYCEROL LIPASE INHIBITORS F. Hoffmann-La Roche AG (CH) 2021-06-23 — — EP disclosed
EP-3837263-A1 NEW HETEROCYCLIC COMPOUNDS AS MONOACYLGLYCEROL LIPASE INHIBITORS F. Hoffmann-La Roche AG (CH) 2021-06-23 — — EP disclosed
US-20200308190-A1 HETEROCYCLIC COMPOUNDS AS MONOACYLGLYCEROL LIPASE INHIBITORS HOFFMANN-LA ROCHE INC. (US) 2020-10-01 — — US disclosed
WO-2020035424-A1 NEW HETEROCYCLIC COMPOUNDS AS MONOACYLGLYCEROL LIPASE INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2020-02-20 — — WO disclosed
WO-2020035425-A1 NEW HETEROCYCLIC COMPOUNDS AS MONOACYLGLYCEROL LIPASE INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2020-02-20 — — 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 (5 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-20210277020-A1 HETEROCYCLIC COMPOUNDS AS MONOACYLGLYCEROL LIPASE INHIBITORS MGLL, PNLIP, LPL NOTUM 97/4885RAB9A 1269/4885KDM4E 2290/4885
US-20240150373-A1 HETEROCYCLIC COMPOUNDS AS MONOACYLGLYCEROL LIPASE INHIBITORS LIPC, LPL, MGLL NOTUM 101/4885RAB9A 2599/4885KDM4E 2468/4885
US-20200308190-A1 HETEROCYCLIC COMPOUNDS AS MONOACYLGLYCEROL LIPASE INHIBITORS LIPC, MGLL, LPL NOTUM 83/4885RAB9A 2717/4885KDM4E 2252/4885
US-11802133-B2 Heterocyclic compounds as monoacylglycerol lipase inhibitors LIPC, LPL, MGLL NOTUM 101/4885RAB9A 2599/4885KDM4E 2468/4885
US-20230050901-A1 HETEROCYCLIC COMPOUNDS AS MONOACYLGLYCEROL LIPASE INHIBITORS LIPC, LPL, MGLL NOTUM 101/4885RAB9A 2599/4885KDM4E 2468/4885

“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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