Sugi Predict

Sugi Predict / Compounds / SCHEMBL3967937

SCHEMBL3967937

SCHEMBL3967937

COC(=O)[C@@H](N)Cc1cc(F)cc(F)c1

nearest known ligand 0.48

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 1/20 0.47
▸ SLC7A5 Q01650 3/20 0.43
▸ CYP4F2 P78329 1/20 0.39
▸ CYP4A11 Q02928 1/20 0.39
▸ IDO1 P14902 2/20 0.37
▸ TSHR P16473 1/20 0.37
▸ AKT1 P31749 1/20 0.36
▸ AKT2 P31751 1/20 0.36
▸ AKT3 Q9Y243 1/20 0.36
▸ EPHX1 P07099 1/20 0.36
▸ NOS3 P29474 1/20 0.36
▸ NOS1 P29475 1/20 0.36
▸ NOS2 P35228 1/20 0.36
▸ SLC6A3 Q01959 1/20 0.36

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
SCHEMBL2659518 1.00 ALDH1A1 (0.47) ALDH1A1SLC7A5CYP4F2CYP4A11IDO1
Hydrochloric Acid SCHEMBL4248195 0.98 ALDH1A1 (0.49) ALDH1A1SLC7A5CYP4F2CYP4A11IDO1
Hydrochloric Acid SCHEMBL1202263 0.98 ALDH1A1 (0.49) ALDH1A1SLC7A5CYP4F2CYP4A11IDO1
SCHEMBL30765033 0.91 ALDH1A1 (0.43) ALDH1A1SLC7A5CYP4F2CYP4A11
SCHEMBL9952219 0.91 ALDH1A1 (0.43) ALDH1A1SLC7A5CYP4F2CYP4A11
SCHEMBL12804024 0.91 ALDH1A1 (0.43) ALDH1A1SLC7A5CYP4F2CYP4A11
SCHEMBL15933890 0.89 ALDH1A1 (0.42) ALDH1A1SLC7A5CYP4F2CYP4A11IDO1
SCHEMBL22944374 0.89 ALDH1A1 (0.42) ALDH1A1SLC7A5CYP4F2CYP4A11IDO1
Hydrochloric Acid SCHEMBL15873938 0.88 ALDH1A1 (0.44) ALDH1A1SLC7A5CYP4F2CYP4A11IDO1
Hydrochloric Acid SCHEMBL15873940 0.88 ALDH1A1 (0.44) ALDH1A1SLC7A5CYP4F2CYP4A11IDO1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3619205-B1 INHIBITORS OF HUMAN IMMUNODEFICIENCY VIRUS REPLICATION VIIV HEALTHCARE UK NO 5 LTD (GB) 2022-04-06 — — EP disclosed
US-20100099898-A1 Processes and Intermediates For Preparing Benzyle Epoxides ELAN PHARMACEUTICALS, INC. 2010-04-22 — — US disclosed
US-20100099898-A1 Processes and Intermediates For Preparing Benzyle Epoxides ELAN PHARMACEUTICALS, INC. 2010-04-22 — — US disclosed
US-7638646-B2 Processes and intermediates for preparing benzyl epoxides ELAN PHARMACEUTICALS INC. (US) 2009-12-29 — — US disclosed
US-7638646-B2 Processes and intermediates for preparing benzyl epoxides ELAN PHARMACEUTICALS INC. (US) 2009-12-29 — — US disclosed
WO-2009038412-A2 BETA-SECRETASE INHIBITING COMPOUNDS LG LIFE SCIENCES, LTD. (KR) 2009-03-26 — — WO disclosed
WO-2009038411-A2 BETA-SECRETASE INHIBITING COMPOUNDS HAVING OXO-DIHYDRO-PYRAZOLE MOIETY LG LIFE SCIENCES, LTD. (KR) 2009-03-26 — — WO disclosed
US-20060229302-A1 Tricyclic indole derivatives and their use in the treatment of alzheimer's disease GLAXO GROUP LIMITED (GB) 2006-10-12 — — US disclosed
US-20060069264-A1 Aza hydroxylated ethyl amine compounds PHARMACIA & UPJOHN COMPANY 2006-03-30 — — US disclosed
EP-1620438-A1 TRICYCLIC INDOLE DERIVATIVES AND THEIR USE IN THE TREATMENT OF ALZHEIMER'S DISEASE GLAXO GROUP LIMITED (GB) 2006-02-01 — — EP disclosed
US-6960664-B2 Aza hydroxylated ethyl amine compounds PHARMACIA & UPJOHN COMPANY (US) 2005-11-01 — — US disclosed
US-20050130941-A1 Methods of treating alzheimer's disease PHARMACIA & UPJOHN COMPANY LLC 2005-06-16 — — US disclosed
WO-2004094430-A1 TRICYCLIC INDOLE DERIVATIVES AND THEIR USE IN THE TREATMENT OF ALZHEIMER’S DISEASE GLAXO GROUP LIMITED (GB) 2004-11-04 — — WO disclosed
EP-1392645-A2 AZA HYDROXYLATED ETHYL AMINE COMPOUNDS Elan Pharmaceuticals, Inc. (US) 2004-03-03 — — EP disclosed
EP-1392315-A1 METHODS OF TREATING ALZHEIMER'S DISEASE Elan Pharmaceuticals, Inc. (US) 2004-03-03 — — EP disclosed
US-20030229138-A1 Aza hydroxylated ethyl amine compounds utility PHARMACIA & UPJOHN COMPANY 2003-12-11 — — US disclosed
WO-2002100410-A1 METHODS OF TREATING ALZHEIMER'S DISEASE ELAN PHARMACEUTICALS, INC. (US) 2002-12-19 — — WO disclosed
WO-2002094768-A2 AZA HYDROXYLATED ETHYL AMINE COMPOUNDS ELAN PHARMACEUTICALS, INC. (US) 2002-11-28 — — 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-20060229302-A1 Tricyclic indole derivatives and their use in the treatment of alzheimer's disease BACE2, BACE1, PSEN2 ALDH1A1 3673/4885SLC7A5 1970/4885CYP4F2 3668/4885
US-20030229138-A1 Aza hydroxylated ethyl amine compounds utility BACE1, BCHE, PRMT1 ALDH1A1 474/4885SLC7A5 2502/4885CYP4F2 1852/4885
US-20100099898-A1 Processes and Intermediates For Preparing Benzyle Epoxides VKORC1, EPOR, POR ALDH1A1 1965/4885SLC7A5 4124/4885CYP4F2 211/4885
US-20050130941-A1 Methods of treating alzheimer's disease BACE1, PSEN1, BACE2 ALDH1A1 889/4885SLC7A5 4159/4885CYP4F2 2575/4885
US-20060069264-A1 Aza hydroxylated ethyl amine compounds BACE1, BCHE, APP ALDH1A1 436/4885SLC7A5 2521/4885CYP4F2 1212/4885

“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.