SCHEMBL6958969

SCHEMBL6958969

Cc1oc(-c2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)nc1CCO

nearest known ligand 0.50

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PTGS1 P23219 6/20 0.45
PTGS2 P35354 5/20 0.45
CA2 P00918 2/20 0.43
CA1 P00915 1/20 0.43
CYP1A2 P05177 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
ALDH1A1 P00352 1/20 0.39
POLB P06746 1/20 0.39
TYR P14679 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39

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
SCHEMBL8941887 0.81 KDM4E (0.60) PTGS1PTGS2CA2CA1
SCHEMBL8941660 0.78 KDM4E (0.44) PTGS1PTGS2CA2CA1
SCHEMBL4906461 0.77 PPARA (0.52) CYP2C9
SCHEMBL6956224 0.77 HSD17B10 (0.45) PTGS1PTGS2
SCHEMBL10659312 0.77 PTGS1 (0.40) PTGS1PTGS2CA2CA1
SCHEMBL9411837 0.76 MAPT (0.36) PTGS1PTGS2CA2ALDH1A1POLB
SCHEMBL6964821 0.76 PPARA (0.52)
SCHEMBL28295550 0.76 PPARA (0.46) ALDH1A1
SCHEMBL3530493 0.76 RAB9A (0.53) ALDH1A1POLBSMN1; SMN2
SCHEMBL9411902 0.76 ALOX15 (0.44) PTGS1PTGS2CA2ALDH1A1POLB

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 21 patents — showing the first 20. 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-20010027194-A1 NOVEL COMPOUNDS USEFUL AS NEURO-PROTECTIVE AGENTS ELI LILLY AND COMPANY 2001-10-04 US disclosed
US-6156748-A Compounds useful as neuro-protective agents ELI LILLY AND COMPANY (US) 2000-12-05 US disclosed
US-5952360-A Method for treating neuropathic pain ELI LILLY AND COMPANY (US) 1999-09-14 US disclosed
US-5942530-A Method for treating pain ELI LILLY AND COMPANY (US) 1999-08-24 US disclosed
EP-0908186-A2 Method for treating pain ELI LILLY AND COMPANY (US) 1999-04-14 EP 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
EP-0908180-A2 Use of phenyl oxazole or phenyl thiazole derivatives for treating pain ELI LILLY AND COMPANY (US) 1999-04-14 EP disclosed
EP-0906755-A2 Use of phenyl oxazole or phenyl thiazole derivatives for treating neuropathic pain ELI LILLY AND COMPANY (US) 1999-04-07 EP disclosed
WO-1999009829-A1 METHOD FOR TREATING PAIN ELI LILLY AND COMPANY (US) 1999-03-04 WO disclosed
WO-1999009980-A1 METHOD FOR TREATING PAIN ELI LILLY AND COMPANY (US) 1999-03-04 WO disclosed
WO-1999009979-A1 METHOD FOR TREATING NEUROPATHIC PAIN ELI LILLY AND COMPANY (US) 1999-03-04 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 (4 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-20010027194-A1 NOVEL COMPOUNDS USEFUL AS NEURO-PROTECTIVE AGENTS NLN, PRDX5, TXN2 PTGS1 380/4885PTGS2 396/4885CA2 2083/4885
US-20020177595-A1 Novel compounds useful as neuro-protective agents NLN, PRDX5, TXN2 PTGS1 380/4885PTGS2 396/4885CA2 2083/4885
US-20020065274-A1 METHODS OF USING NOVEL COMPOUNDS AS NEURO-PROTECTIVE AGENTS NLN, GAP43, TXN2 PTGS1 453/4885PTGS2 416/4885CA2 1932/4885
US-20030050311-A1 Methods of using novel compounds as neuro-protective agents NLN, GAP43, TXN2 PTGS1 453/4885PTGS2 416/4885CA2 1932/4885

“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.