SCHEMBL2089907

SCHEMBL2089907

[O]CCCCc1nccs1

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
FDPS P14324 1/20 0.42
SLC6A3 Q01959 3/20 0.37
PLA2G4A P47712 1/20 0.35
CYP2C19 P33261 1/20 0.35
ALDH1A1 P00352 2/20 0.34
TSHR P16473 2/20 0.34
NOS1 P29475 1/20 0.34
HSD17B10 Q99714 1/20 0.34
CES1 P23141 1/20 0.34
SIGMAR1 Q99720 1/20 0.33
COPS5 Q92905 1/20 0.33
CYP2D6 P10635 1/20 0.33
CHRM2 P08172 1/20 0.33
CHRM1 P11229 1/20 0.33
CHRM3 P20309 1/20 0.33
FBP1 P09467 1/20 0.32
PDK1 Q15118 1/20 0.32
ALOX15 P16050 1/20 0.32
PSMD14 O00487 1/20 0.32

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
SCHEMBL1051788 0.94
SCHEMBL841788 0.85
SCHEMBL6672445 0.81
SCHEMBL9132154 0.81 FDPS (0.39) FDPSSLC6A3PLA2G4ACYP2C19ALDH1A1
SCHEMBL8671012 0.79 FDPS (0.47) FDPSSLC6A3CYP2C19ALDH1A1TSHR
SCHEMBL2096439 0.79 ALDH1A1 (0.39) FDPSSLC6A3PLA2G4ACYP2C19ALDH1A1
SCHEMBL244221 0.79 PLA2G4A (0.41) FDPSSLC6A3PLA2G4AALDH1A1FBP1
SCHEMBL8560648 0.79 HRH1 (0.40) FDPSSLC6A3CYP2C19ALDH1A1TSHR
SCHEMBL2089915 0.79 FDPS (0.42) FDPSSLC6A3PLA2G4AALDH1A1TSHR
SCHEMBL4584005 0.78 PLA2G4A (0.43) FDPSPLA2G4AALDH1A1FBP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023141852-A1 CDK2 INHIBITORS, PREPARATION METHOD THEREFOR AND USE THEREOF 益方生物科技(上海)股份有限公司 2023-08-03 WO 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-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-5659065-A CHEMICAL INTERMEDIATES FOR MEDICINAL ACTIVE AGENTS NOVARTIS CORPORATION (US) 1997-08-19 US disclosed
EP-0678500-A1 Alpha-amino alkanoic acids and reduction products as intermediates in the preparation of renin inhibitors CIBA-GEIGY AG (CH) 1995-10-25 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 (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 FDPS 1113/4885SLC6A3 3737/4885PLA2G4A 4509/4885

“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.