Sugi Predict

Sugi Predict / Compounds / SCHEMBL759590

SCHEMBL759590

SCHEMBL759590

O=C(NC1CCC(F)(F)C1)OCc1ccccc1

nearest known ligand 0.60

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 2/20 0.60
▸ GAA P10253 1/20 0.60
▸ KDM1A O60341 1/20 0.58
▸ MAOB P27338 1/20 0.58
▸ TSHR P16473 1/20 0.57
▸ DPP4 P27487 5/20 0.54
▸ DPP7 Q9UHL4 5/20 0.54
▸ KCNH2 Q12809 3/20 0.54
▸ EPHX1 P07099 1/20 0.54
▸ CTSL P07711 1/20 0.52
▸ CTSB P07858 1/20 0.52
▸ CTSK P43235 1/20 0.52
▸ CPB1 P15086 1/20 0.49
▸ TLR4 O00206 1/20 0.48
▸ CA1 P00915 1/20 0.47
▸ CA2 P00918 1/20 0.47
▸ ACHE P22303 1/20 0.47
▸ MEN1 O00255 1/20 0.47
▸ KMT2A Q03164 1/20 0.47

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
SCHEMBL30264325 1.00 ALDH1A1 (0.60) ALDH1A1GAAKDM1AMAOBTSHR
SCHEMBL30263905 1.00 ALDH1A1 (0.60) ALDH1A1GAAKDM1AMAOBTSHR
SCHEMBL8243727 0.92 EPHX1 (0.58) ALDH1A1GAAKDM1AMAOBTSHR
SCHEMBL21057414 0.92 EPHX1 (0.58) ALDH1A1GAAKDM1AMAOBTSHR
SCHEMBL21057485 0.92 EPHX1 (0.58) ALDH1A1GAAKDM1AMAOBTSHR
SCHEMBL361720 0.89 ALDH1A1 (0.62) ALDH1A1GAAKDM1AMAOBTSHR
SCHEMBL16665096 0.86 ALDH1A1 (0.59) ALDH1A1GAAKDM1AMAOBTSHR
SCHEMBL26632495 0.84 CPB1 (0.52) ALDH1A1GAAKDM1AMAOBTSHR
SCHEMBL31405400 0.84 CPB1 (0.52) ALDH1A1GAAKDM1AMAOBTSHR
SCHEMBL7434389 0.84 CPB1 (0.52) ALDH1A1GAAKDM1AMAOBTSHR

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 31 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3822274-B1 SYNTHETIC INTERMEDIATES USEFUL FOR PREPARING SUBSTITUTED AMINOPURINE COMPOUNDS SIGNAL PHARM LLC (US) 2024-03-06 — — EP disclosed
US-20230158035-A1 SUBSTITUTED AMINOPURINE COMPOUNDS, COMPOSITIONS THEREOF, AND METHODS OF TREATMENT THEREWITH SIGNAL PHARM LLC (US) 2023-05-25 — — US disclosed
US-11590139-B2 Substituted aminopurine compounds, compositions thereof, and methods of treatment therewith SIGNAL PHARMACEUTICALS, LLC (US) 2023-02-28 — — US disclosed
US-20220273659-A1 HETEROCYCLIC COMPOUNDS AS KINASE INHIBITORS NUVATION BIO OPERATING COMPANY LLC 2022-09-01 — — US disclosed
EP-3993802-A1 HETEROCYCLIC COMPOUNDS AS KINASE INHIBITORS Nuvation Bio Inc. (US) 2022-05-11 — — EP disclosed
CN-113248506-A Substituted aminopurine compounds, compositions thereof, and methods of treatment therewith 西格诺药品有限公司 2021-08-13 — — CN disclosed
WO-2021003314-A1 HETEROCYCLIC COMPOUNDS AS KINASE INHIBITORS NUVATION BIO INC. (US) 2021-01-07 — — WO disclosed
EP-2804850-B1 THERAPEUTICALLY ACTIVE COMPOUNDS AND THEIR METHODS OF USE AGIOS PHARMACEUTICALS INC (US) 2018-08-29 — — EP disclosed
US-20160304556-A1 THERAPEUTICALLY ACTIVE COMPOUNDS AND THEIR METHODS OF USE AGIOS PHARMACEUTICALS, INC (US) 2016-10-20 — — US disclosed
US-20160304556-A1 THERAPEUTICALLY ACTIVE COMPOUNDS AND THEIR METHODS OF USE AGIOS PHARMACEUTICALS, INC (US) 2016-10-20 — — US disclosed
EP-1954668-B1 HOMO- AND HETEROCYCLIC COMPOUNDS SUITABLE AS CETP INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2011-09-28 — — EP disclosed
US-7888376-B2 Cholesteryl ester transfer protein (CETP) inhibitors; atherosclerosis and cardiovascular diseases; N-(1-(5-chloropyridin-2-yl)-1-(3-fluoro-5-(trifluoromethyl)phenyl)-2-phenylethyl)-4-(trifluoromethyl)thiazol-2-amine; Alzheimer's, atherosclerosis, venous thrombosis, peripheral vascular disease BRISTOL-MYERS SQUIBB COMPANY (US) 2011-02-15 — — US disclosed
US-20100267669-A1 HETEROCYCLIC CETP INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2010-10-21 — — US disclosed
US-7790770-B2 Heterocyclic CETP inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2010-09-07 — — US disclosed
EP-1954668-A2 HOMO- AND HETEROCYCLIC COMPOUNDS SUITABLE AS CETP INHIBITORS Brystol-Myers Squibb Company (US) 2008-08-13 — — EP disclosed
EP-1951673-A2 HETEROCYCLIC CETP INHIBITORS Bristol-Myers Squibb Company (US) 2008-08-06 — — EP disclosed
US-20070161685-A1 HETEROCYCLIC CETP INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2007-07-12 — — US disclosed
US-20070135631-A1 HETEROCYCLIC CETP INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2007-06-14 — — US disclosed
WO-2007062314-A2 HETEROCYCLIC CETP INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2007-05-31 — — WO disclosed
WO-2007062308-A2 HOMO- AND HETEROCYCLIC COMPOUNDS SUITABLE AS CETP INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2007-05-31 — — 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 (7 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-20160304556-A1 THERAPEUTICALLY ACTIVE COMPOUNDS AND THEIR METHODS OF USE IDH1, IDH3B, IDH3A ALDH1A1 413/4885GAA 144/4885KDM1A 293/4885
US-20070161685-A1 HETEROCYCLIC CETP INHIBITORS CETP, CES1, NPC1 ALDH1A1 2353/4885GAA 1018/4885KDM1A 855/4885
US-20070135631-A1 HETEROCYCLIC CETP INHIBITORS CETP, CES1, NPC1 ALDH1A1 2353/4885GAA 1018/4885KDM1A 855/4885
US-20230158035-A1 SUBSTITUTED AMINOPURINE COMPOUNDS, COMPOSITIONS THEREOF, AND METHODS OF TREATMENT THEREWITH TPMT, MGMT, TYMP ALDH1A1 332/4885GAA 3403/4885KDM1A 525/4885
US-20220273659-A1 HETEROCYCLIC COMPOUNDS AS KINASE INHIBITORS CDK4, CDK6, CDK8 ALDH1A1 2992/4885GAA 2341/4885KDM1A 1209/4885
US-11590139-B2 Substituted aminopurine compounds, compositions thereof, and methods of treatment therewith TPMT, MGMT, TYMP ALDH1A1 332/4885GAA 3403/4885KDM1A 525/4885
US-20100267669-A1 HETEROCYCLIC CETP INHIBITORS CETP, CES1, NPC1 ALDH1A1 2353/4885GAA 1018/4885KDM1A 855/4885

“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.