SCHEMBL6965091

SCHEMBL6965091

CC(C)NCc1ccc(C(=O)CCc2coc(-c3cc(C(C)(C)C)c(O)c(C(C)(C)C)c3)n2)cc1

nearest known ligand 0.35

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
GAA P10253 4/20 0.35
KMT2A Q03164 4/20 0.32
MEN1 O00255 2/20 0.32
PTGS1 P23219 2/20 0.32
ALOX5 P09917 1/20 0.32
PTGS2 P35354 1/20 0.32
TSHR P16473 1/20 0.32
FFAR1 O14842 1/20 0.32
KLKB1 P03952 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
SCHEMBL6955830 0.82 PTGS1 (0.31) PTGS1PTGS2
SCHEMBL6956014 0.82 PPARG (0.39) FFAR1
SCHEMBL6965094 0.81 LMNA (0.34) GAAKMT2AMEN1PTGS1ALOX5
Hydrochloric Acid SCHEMBL6960503 0.81 PPARG (0.38) KMT2AMEN1PTGS1PTGS2FFAR1
Hydrochloric Acid SCHEMBL6966359 0.81 PPARG (0.35) KMT2AMEN1PTGS1PTGS2FFAR1
Hydrochloric Acid SCHEMBL6956171 0.77 ALDH1A1 (0.33)
Hydrochloric Acid SCHEMBL6965523 0.76 ALDH1A1 (0.33) PTGS1PTGS2
SCHEMBL6959448 0.74 PPARG (0.36) PTGS1PTGS2
SCHEMBL7164030 0.73 PPARG (0.34) GAAKMT2ATSHR
SCHEMBL6952521 0.73 PPARG (0.43) PTGS1ALOX5PTGS2FFAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6579871-B2 Phenyl oxazoles or thiazoles ELI LILLY AND COMPANY 2003-06-17 US disclosed
EP-0971709-B1 NOVEL COMPOUNDS USEFUL AS NEURO-PROTECTIVE AGENTS LILLY CO ELI (US) 2003-05-21 EP disclosed
US-20030050311-A1 Methods of using novel compounds as neuro-protective agents PANETTA JILL ANN (US) 2003-03-13 US disclosed
US-20020177595-A1 Novel compounds useful as neuro-protective agents PANETTA JILL ANN (US) 2002-11-28 US disclosed
US-6472387-B1 Methods of using compounds as neuro-protective agents ELI LILLY AND COMPANY 2002-10-29 US disclosed
US-6448396-B2 2-((3,5-DIALKYL-4-HYDROXYPHENYL-4-(2-(AMINOALKYLPHENOXY)ETHYL) OXAZOLES; ANTIISCHEMIC AGENTS; REPERFUSION INJURY OF PERIPHERAL ORGANS; FREE RADICAL ANTAGONISTS; PARKINSON'S AND ALZHEIMER'S DISESES; DOWN'S SYNDROME; AMYOTROPHIC LATERAL S. ELI LILLY AND COMPANY 2002-09-10 US disclosed
US-6423709-B1 FOR THERAPY OF ALZHEIMER'S DISEASE, PARKINSON'S DISEASE, AMYTROPHIC LATERAL SCLEROSIS OR CEREBRAL TRAUMA IN A MAMMAL ELI LILLY AND COMPANY 2002-07-23 US disclosed
US-20020065274-A1 METHODS OF USING NOVEL COMPOUNDS AS NEURO-PROTECTIVE AGENTS PANETTA JILL ANN (US) 2002-05-30 US disclosed
US-6380213-B1 PHENYL OXAZOLES, THIAZOLES, OXAZOLINES, OXADIAZOLES AND BENZOXAZOLES ELI LILLY AND COMPANY 2002-04-30 US disclosed
US-6166216-A Compounds useful as neuro-protective agents ELI LILLY AND COMPANY (US) 2000-12-26 US disclosed
US-6156748-A Compounds useful as neuro-protective agents ELI LILLY AND COMPANY (US) 2000-12-05 US disclosed
EP-0908454-A2 Oxazoles, thiazoles, oxazolines, oxadiazoles and benzoxazoles useful as neuro-protective agents ELI LILLY AND COMPANY (US) 1999-04-14 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-20020177595-A1 Novel compounds useful as neuro-protective agents NLN, PRDX5, TXN2 GAA 3608/4885KMT2A 4489/4885MEN1 4155/4885
US-20020065274-A1 METHODS OF USING NOVEL COMPOUNDS AS NEURO-PROTECTIVE AGENTS NLN, GAP43, TXN2 GAA 3203/4885KMT2A 4591/4885MEN1 3950/4885
US-20030050311-A1 Methods of using novel compounds as neuro-protective agents NLN, GAP43, TXN2 GAA 3203/4885KMT2A 4591/4885MEN1 3950/4885

“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.