SCHEMBL2094884

SCHEMBL2094884

O=[C]OCc1ccc(C(F)(F)F)cc1

nearest known ligand 0.57

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 2/20 0.57
KMT2A Q03164 1/20 0.53
MAOB P27338 7/20 0.47
TAAR1 Q96RJ0 1/20 0.44
MMP12 P39900 2/20 0.41
MMP1 P03956 1/20 0.41
NAAA Q02083 1/20 0.41
KIF11 P52732 1/20 0.41
MIF P14174 1/20 0.41

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
SCHEMBL5540223 0.85 IDO1 (0.40) IDO1KMT2AMAOBMMP12MMP1
SCHEMBL2095615 0.81 TAAR1 (0.50) IDO1KMT2AMAOBTAAR1MIF
SCHEMBL3365902 0.80 APP (0.47) KMT2ANAAA
SCHEMBL2096262 0.80 IDO1 (0.57) IDO1
SCHEMBL2087029 0.78 IDO1 (0.62) IDO1MAOBTAAR1MMP12MMP1
SCHEMBL2096837 0.78 TAAR1 (0.47) IDO1KMT2AMAOBTAAR1NAAA
SCHEMBL514457 0.77 GPR84 (0.42) MMP1
SCHEMBL95538 0.77 IDO1 (0.52) IDO1MAOBTAAR1
SCHEMBL5536424 0.77 HDAC1 (0.49) IDO1KMT2AMAOBTAAR1NAAA
SCHEMBL492736 0.76 IDO1 (0.68) IDO1KMT2AMAOBTAAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116396296-A Preparation method of ertapenem 武汉瑞晟药业有限公司 2023-07-07 CN claimed
EP-2570418-A2 2,3-dihydro-6-nitroimidazo[2,1-b]oxazoles compound OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2013-03-20 EP claimed
WO-2009032840-A1 FLUORINE- SUBSTITUTED 2 ', 6 ' -DIMETHYL-L-TYROSINE-1, 2,3, 4-TETRAHYDR0IS0QUIN0LINE-3-CARB0XYLIC ACID PEPTIDES (DMT-TIC) FOR USE AS MYU- AND DELTA-OPIOID RECEPTOR PROBES IN THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 2009-03-12 WO claimed
US-7262212-B2 2,3-dihydro-6-nitroimidazo[2,1-b]oxazoles OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2007-08-28 US claimed
US-20070161634-A1 Compounds as CCR5 antagonists SHANGHAI TARGET DRUG CO., LTD. (CN) 2007-07-12 US claimed
EP-1760079-A1 COMPOUNDS AS COR5 ANTAGONISTS Shanghai Target Drug Co., Ltd. (CN) 2007-03-07 EP claimed
US-20060094767-A1 2,3-Dihydro-6-nitroimidazo[2,1-b]oxazoles OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2006-05-04 US claimed
EP-1555267-A1 2,3-DIHYDRO-6-NITROIMIDAZO 2,1-b OXAZOLES OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2005-07-20 EP claimed
CN-115232117-B Substituted isoxazole pyrimidine amine compound, preparation method and application thereof 沈阳中化农药化工研发有限公司 2024-07-16 CN disclosed
CN-107778298-B Pyrimidine-containing substituted azole compound and application thereof 沈阳中化农药化工研发有限公司 2023-10-31 CN disclosed
CN-111004218-B Pyrimidine compound containing piperidine and application thereof 沈阳中化农药化工研发有限公司 2023-10-13 CN disclosed
CN-116396296-A Preparation method of ertapenem 武汉瑞晟药业有限公司 2023-07-07 CN disclosed
CN-110964037-B Pyrimidine-fused ring-containing compound and preparation method and application thereof 沈阳中化农药化工研发有限公司 2023-03-28 CN disclosed
EP-3760617-B1 SUBSTITUTED PYRIMIDINE COMPOUND AND USES THEREOF SHENYANG SINOCHEM AGROCHEMICALS R & D CO LTD (CN) 2023-03-22 EP disclosed
WO-1992006998-A1 CYCLOPEPTIDES, A METHOD OF PREPARING THEM, AND THEIR USE AS DRUGS BOEHRINGER INGELHEIM KG (DE) 1992-04-30 WO disclosed
US-5017573-A Serotonin receptor antagonist DAINIPPON PHARMACEUTICAL CO., LTD. (JP) 1991-05-21 US disclosed
EP-0358903-A2 Indazole-3-carboxylic acid derivatives DAINIPPON PHARMACEUTICAL CO., LTD. (JP) 1990-03-21 EP disclosed
US-4500709-A INTERMEDIATES IN THE PREPARATION OF CEPHALOSPORIN COMPOUNDS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1985-02-19 US disclosed
US-4371531-A OXIME-SUBSTITUTED ANTIBIOTICS FUJISAWA PHARMACEUTICAL COMPANY, LTD. (JP) 1983-02-01 US disclosed
US-4242510-A Cephalosporin compounds and processes for the preparation thereof FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1980-12-30 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 (2 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-20060094767-A1 2,3-Dihydro-6-nitroimidazo[2,1-b]oxazoles NR2C2, NR4A3, NR4A2 IDO1 3181/4885KMT2A 4267/4885MAOB 2140/4885
US-20070161634-A1 Compounds as CCR5 antagonists CCR5, CXCR3, CCL5 IDO1 257/4885KMT2A 4577/4885MAOB 2165/4885

“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.