SCHEMBL7341887

SCHEMBL7341887

CC(C)[C@H](NC(=O)OC(C)(C)C)C(=O)Oc1ccc([N+](=O)[O-])cc1

nearest known ligand 0.64

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.64
GAA P10253 5/20 0.64
ALDH1A1 P00352 4/20 0.64
SMN1; SMN2 Q16637 3/20 0.54
NPC1 O15118 2/20 0.54
RAB9A P51151 2/20 0.54
NPSR1 Q6W5P4 1/20 0.48
PPARG P37231 1/20 0.45
PPARA Q07869 1/20 0.45
KDM4E B2RXH2 1/20 0.44
GLA P06280 1/20 0.44
HPGD P15428 1/20 0.44
MGLL Q99685 2/20 0.43
HTR2A P28223 1/20 0.43
TRPA1 O75762 1/20 0.42
BCL9 O00512 1/20 0.42
CTNNB1 P35222 1/20 0.42
SRC P12931 1/20 0.41
CA2 P00918 1/20 0.40

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
SCHEMBL19668455 1.00 MAPT (0.64) MAPTGAAALDH1A1SMN1; SMN2NPC1
SCHEMBL2390983 0.89 MAPT (0.55) MAPTGAAALDH1A1SMN1; SMN2NPC1
SCHEMBL2390989 0.89 MAPT (0.55) MAPTGAAALDH1A1SMN1; SMN2NPC1
SCHEMBL29401387 0.89 MAPT (0.55) MAPTGAAALDH1A1SMN1; SMN2NPC1
SCHEMBL26226843 0.89 ALDH1A1 (0.67) MAPTGAAALDH1A1SMN1; SMN2NPC1
SCHEMBL22137002 0.89 ALDH1A1 (0.67) MAPTGAAALDH1A1SMN1; SMN2NPC1
SCHEMBL16284648 0.89 ALDH1A1 (0.67) MAPTGAAALDH1A1SMN1; SMN2NPC1
SCHEMBL22136977 0.88 ALDH1A1 (0.53) MAPTGAAALDH1A1SMN1; SMN2NPC1
SCHEMBL25911506 0.88 MAPT (0.53) MAPTGAAALDH1A1SMN1; SMN2NPC1
SCHEMBL25911512 0.86 MGLL (0.52) MAPTGAAALDH1A1SMN1; SMN2NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12421276-B2 Methods of treating neurodegenerative disease with substituted n-hexanoic-l-tyrosine-l-isoleucine-(6)-aminohexanoic amide analogues ATHIRA PHARMA, INC. (US) 2025-09-23 US disclosed
CN-113195641-B Sulfoxonium ylide derivatives as probes for cysteine proteases 武田药品工业株式会社 2024-09-03 CN disclosed
US-20230285598-A1 SULFOXONIUM YLIDE DERIVATIVES AS PROBES FOR CYSTEINE PROTEASE TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2023-09-14 US disclosed
US-20230285598-A1 SULFOXONIUM YLIDE DERIVATIVES AS PROBES FOR CYSTEINE PROTEASE TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2023-09-14 US disclosed
CN-116731101-A Derivatives of N-caproic acid-L-tyrosine-L-isoleucine- (6) -aminocaproamide for the treatment of various diseases 雅斯娜 2023-09-12 CN disclosed
CN-116655730-A Derivatives of N-caproic acid-L-tyrosine-L-isoleucine- (6) -aminocaproamide for the treatment of various diseases 雅斯娜 2023-08-29 CN disclosed
CN-109563144-B Compound (I) 雅斯娜 2023-03-28 CN disclosed
EP-4067368-A1 COMPOUNDS Athira Pharma, Inc. (US) 2022-10-05 EP disclosed
EP-3464336-B1 COMPOUNDS ATHIRA PHARMA INC (US) 2022-03-16 EP disclosed
US-20210340176-A1 Compounds ATHIRA PHARMA, INC. (US) 2021-11-04 US disclosed
EP-0153277-B1 PLEUROMUTILIN DERIVATIVES, PROCESS FOR THEIR PREPARATION AND THEIR USE SANDOZ AG (CH) 1987-08-26 EP disclosed
EP-0225552-A2 Pure enantiomeric 1,8-bridged-4-quinolo-3-carboxylic acids, process for their preparation and medicaments containing them, and their use in the preparation of medicaments BAYER AG (DE) 1987-06-16 EP disclosed
EP-0117473-B1 QUINOLONE CARBOXYLIC ACIDS, PROCESS FOR THEIR PREPARATION AND ANTIBACTERIAL COMPOSITIONS CONTAINING THEM BAYER AG (DE) 1987-01-28 EP disclosed
EP-0206076-A2 1,8-Bridged 4-quinolone-3-carboxylic acids, process for their preparation as well as medicaments containing them, and their use for the preparation of medicaments BAYER AG (DE) 1986-12-30 EP disclosed
EP-0198192-A1 7-Amino-1-(subst.cyclopropyl)-1,4 -dihydro-4-oxo-quinoline carboxylic acids, method for their preparation, and antibacterial agents containing them BAYER AG (DE) 1986-10-22 EP disclosed
EP-0167763-A1 7-Amino-1-cyclopropyl-6,8-dihalo-1,4-dihydro-4-oxo-3-quinoline-carboxylic acids, process for their preparation and bactericidal agents containing them BAYER AG (DE) 1986-01-15 EP disclosed
EP-0164619-A1 2,4,5-Trihalo or 2,3,4,5-tetrahalo benzene derivatives and process for producing them BAYER AG (DE) 1985-12-18 EP disclosed
US-4559341-A Quinolonecarboxylic acids and antibacterial agents containing these compounds BAYER AKTIENGESELLSCHAFT (DE) 1985-12-17 US disclosed
US-4556658-A 7-Amino-1-cyclopropyl-6,8-difluoro-1,4-dihydro-4-oxo-quinoline-3-carboxylic acids and antibacterial agents containing these compounds BAYER AKTIENGESELLSCHAFT (DE) 1985-12-03 US disclosed
EP-0117473-A1 Quinolone carboxylic acids, process for their preparation and antibacterial compositions containing them BAYER AG (DE) 1984-09-05 EP 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 (3 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-20210340176-A1 Compounds BACE1, BDNF, CLN6 MAPT 42/4885GAA 317/4885ALDH1A1 580/4885
US-12421276-B2 Methods of treating neurodegenerative disease with substituted n-hexanoic-l-tyrosine-l-isoleucine-(6)-aminohexanoic amide analogues AADAT, ABAT, IAPP MAPT 48/4885GAA 355/4885ALDH1A1 2613/4885
US-20230285598-A1 SULFOXONIUM YLIDE DERIVATIVES AS PROBES FOR CYSTEINE PROTEASE CTSZ, CTSF, CTSL MAPT 4365/4885GAA 134/4885ALDH1A1 1150/4885

“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.