SCHEMBL1826769

SCHEMBL1826769

Cc1ccc(CO[C]=O)c(C)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PYCR1 P32322 1/20 0.41
KDM4E B2RXH2 2/20 0.39
ALDH1A1 P00352 2/20 0.39
KDM4A O75164 1/20 0.36
KDM5A P29375 1/20 0.36
KDM2B Q8NHM5 1/20 0.36
KDM4C Q9H3R0 1/20 0.36
KDM5B Q9UGL1 1/20 0.36
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
MAPT P10636 2/20 0.36
RAB9A P51151 2/20 0.36
USP2 O75604 1/20 0.36
GAA P10253 1/20 0.36
CASP1 P29466 1/20 0.36
HBB P68871 1/20 0.36
NPC1 O15118 1/20 0.36
SMN1; SMN2 Q16637 2/20 0.35
NR3C1 P04150 1/20 0.35
PGR P06401 1/20 0.35

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
SCHEMBL2094571 0.85 TAAR1 (0.46) KDM4EALDH1A1MEN1KMT2AMAPT
SCHEMBL30618212 0.77 ALDH1A1 (0.44) PYCR1KDM4EALDH1A1KDM4AKDM5A
SCHEMBL15012476 0.77 ALDH1A1 (0.44) PYCR1KDM4EALDH1A1KDM4AKDM5A
SCHEMBL8516081 0.77 ALDH1A1 (0.44) PYCR1KDM4EALDH1A1KDM4AKDM5A
SCHEMBL9730842 0.76 ALDH1A1 (0.51) ALDH1A1MEN1KMT2AMAPTSMN1; SMN2
SCHEMBL133171 0.76 MAOB (0.45) KDM4EALDH1A1TAAR1
SCHEMBL1145658 0.75 KDM4E (0.51) PYCR1KDM4EALDH1A1KDM4AKDM5A
SCHEMBL10766986 0.74 ALDH1A1 (0.30) ALDH1A1
SCHEMBL1758623 0.74 PYCR1 (0.44) PYCR1KDM4EALDH1A1MEN1KMT2A
SCHEMBL183627 0.74 HRH3 (0.33)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1177168-A4 CASPASE INHIBITORS AND THE USE THEREOF CYTOVIA INC (US) 2003-06-25 EP claimed
JP-2002541237-A 2002-12-03 JP claimed
EP-1177168-A1 CASPASE INHIBITORS AND THE USE THEREOF Cytovia, Inc. (US) 2002-02-06 EP claimed
WO-2000061542-A1 CASPASE INHIBITORS AND THE USE THEREOF CYTOVIA, INC. (US) 2000-10-19 WO claimed
EP-2570418-A2 2,3-dihydro-6-nitroimidazo[2,1-b]oxazoles compound OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2013-03-20 EP disclosed
EP-1555267-B1 2,3-DIHYDRO-6-NITROIMIDAZO[2,1-b]OXAZOLES OTSUKA PHARMA CO LTD (JP) 2013-01-16 EP disclosed
US-8163753-B2 2-(4-(4-(4-chlorophenyl)oxazol-2-yl)phenoxymethyl)-2-methyl-6-nitro-2,3-dihydroimidazo[2,1-b]oxazole; bactericide; excellent bactericidal action against Mycobacterium tuberculosis, multi-drug-resistant Mycobacterium tuberculosis, and atypical acid-fast bacteria OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2012-04-24 US disclosed
EP-1647551-B1 OPTICALLY ACTIVE HALOHYDRIN DERIVATIVE AND PROCESS FOR PRODUCING OPTICALLY ACTIVE EPOXY ALCOHOL DERIVATIVE FROM THE SAME KANEKA CORP (JP) 2011-05-04 EP disclosed
US-7582781-B2 epoxidation to produce 1,2-Epoxy-2-(2,4-difluorophenyl)butan-3-ol intermediate for pharmaceutical drugs, a triazole antifungal agent KANEKA CORPORATION (JP) 2009-09-01 US disclosed
EP-1678185-B1 2,3-DIHYDRO-6-NITROIMIDAZO [2,1-B] OXAZOLE COMPOUNDS FOR THE TREATMENT OF TUBERCULOSIS OTSUKA PHARMA CO LTD (JP) 2008-10-08 EP disclosed
US-20080119478-A1 2,3-Dihydro-6-Nitroimidazo (2,1-b) Oxazole Compounds for the Treatment of Tuberculosis OTSUKA PHAMACEUTICAL CO., LTD. (JP) 2008-05-22 US disclosed
US-7262212-B2 2,3-dihydro-6-nitroimidazo[2,1-b]oxazoles OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2007-08-28 US disclosed
US-4898939-A Process for preparing 2β-substituted-methylpenicillin derivatives TAIHO PHARMACEUTICAL CO., LTD. (JP) 1990-02-06 US disclosed
US-4891369-A BETA-LACTAMASE INHIBITORS TAIHO PHARMACEUTICAL COMPANY, LIMITED (JP) 1990-01-02 US disclosed
EP-0331394-A1 Process for preparing 2 beta-substituted-methylpenicillin derivatives TAIHO PHARMACEUTICAL COMPANY LIMITED (JP) 1989-09-06 EP disclosed
EP-0273599-A1 Process for preparing 2beta-substituted-methyl-penicillin derivatives TAIHO PHARMACEUTICAL COMPANY LIMITED (JP) 1988-07-06 EP disclosed
EP-0272016-A1 2beta-substituted-methylpenicillanic acid derivatives, and salts and esters thereof TAIHO PHARMACEUTICAL COMPANY LIMITED (JP) 1988-06-22 EP disclosed
US-4539151-A Benzothiazepine derivatives and their method of preparation MITSUI TOATSU CHEMICALS, INC. (JP) 1985-09-03 US disclosed
US-4539150-A HYPOTENSIVE AGENTS, SULFIDING, CYCLIZATION MITSUI TOATSU CHEMICALS, INC. (JP) 1985-09-03 US disclosed
US-4214094-A ANTILIPEMIC AGENTS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1980-07-22 US 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 (1 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-20080119478-A1 2,3-Dihydro-6-Nitroimidazo (2,1-b) Oxazole Compounds for the Treatment of Tuberculosis NR2C2, NR0B2, NR4A2 PYCR1 169/4885KDM4E 4578/4885ALDH1A1 412/4885

“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.