Sugi Predict

Sugi Predict / Compounds / SCHEMBL21995999

SCHEMBL21995999

SCHEMBL21995999

CCOC(=O)c1nn(CC(=O)O)c2c1[C@@H]1C[C@@H]1C2(F)F

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PDE4A P27815 2/20 0.33
▸ PDE4B Q07343 2/20 0.33
▸ PDE4C Q08493 2/20 0.33
▸ PDE4D Q08499 2/20 0.33
▸ ALDH1A1 P00352 6/20 0.33
▸ KDM4E B2RXH2 3/20 0.33
▸ HSD17B10 Q99714 2/20 0.33
▸ HPGD P15428 1/20 0.33
▸ TP53 P04637 1/20 0.32
▸ ALOX12 P18054 1/20 0.32
▸ MAPT P10636 6/20 0.32
▸ SMN1; SMN2 Q16637 2/20 0.32
▸ MAPK1 P28482 1/20 0.32
▸ NPC1 O15118 2/20 0.32
▸ RAB9A P51151 2/20 0.32
▸ HTT P42858 1/20 0.32
▸ MEN1 O00255 2/20 0.31
▸ KMT2A Q03164 2/20 0.31
▸ ALOX15 P16050 1/20 0.31
▸ LMNA P02545 1/20 0.31

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
SCHEMBL16006682 1.00 PDE4A (0.33) PDE4APDE4BPDE4CPDE4DALDH1A1
SCHEMBL17695171 1.00 PDE4A (0.33) PDE4APDE4BPDE4CPDE4DALDH1A1
SCHEMBL16006579 0.89 KDM4E (0.32) PDE4APDE4BPDE4CPDE4DKDM4E
SCHEMBL17695172 0.89 KDM4E (0.32) PDE4APDE4BPDE4CPDE4DKDM4E
SCHEMBL16145220 0.89 — —
SCHEMBL24878758 0.89 KDM4E (0.32) PDE4APDE4BPDE4CPDE4DKDM4E
SCHEMBL17621615 0.83 CCNA2 (0.35) ALDH1A1KDM4ETP53ALOX12MAPT
SCHEMBL17616500 0.81 KMT2A (0.32) ALDH1A1KDM4EHSD17B10TP53ALOX12
SCHEMBL19788768 0.81 KMT2A (0.32) ALDH1A1KDM4EHSD17B10TP53ALOX12
SCHEMBL24878752 0.80 ALDH1A1 (0.35) PDE4APDE4BPDE4CPDE4DALDH1A1

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
US-12264134-B2 Substituted piperazine amide compounds as indoleamine 2,3-dioxygenase (IDO) inhibitors MERCK SHARP & DOHME LLC (US) 2025-04-01 — — US disclosed
EP-3886845-B1 NOVEL SUBSTITUTED PIPERAZINE AMIDE COMPOUNDS AS INDOLEAMINE 2, 3-DIOXYGENASE (IDO) INHIBITORS MERCK SHARP & DOHME LLC (US) 2024-09-04 — — EP disclosed
US-20230008022-A1 NOVEL SUBSTITUTED PIPERAZINE AMIDE COMPOUNDS AS INDOLEAMINE 2,3-DIOXYGENASE (IDO) INHIBITORS MERCK SHARP & DOHME CORP. (US) 2023-01-12 — — US disclosed
EP-3886845-A1 NOVEL SUBSTITUTED PIPERAZINE AMIDE COMPOUNDS AS INDOLEAMINE 2, 3-DIOXYGENASE (IDO) INHIBITORS Merck Sharp & Dohme Corp. (US) 2021-10-06 — — EP disclosed
WO-2020112581-A1 NOVEL SUBSTITUTED PIPERAZINE AMIDE COMPOUNDS AS INDOLEAMINE 2, 3-DIOXYGENASE (IDO) INHIBITORS MERCK SHARP & DOHME CORP. (US) 2020-06-04 — — 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-20230008022-A1 NOVEL SUBSTITUTED PIPERAZINE AMIDE COMPOUNDS AS INDOLEAMINE 2,3-DIOXYGENASE (IDO) INHIBITORS IDO1, IDO2, KYNU PDE4A 920/4885PDE4B 1112/4885PDE4C 1173/4885
US-12264134-B2 Substituted piperazine amide compounds as indoleamine 2,3-dioxygenase (IDO) inhibitors IDO1, IDO2, AADAC PDE4A 918/4885PDE4B 1175/4885PDE4C 1158/4885

“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.