SCHEMBL2090915

SCHEMBL2090915

[CH]c1ccccc1OC(F)(F)F

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 1/20 0.40
GAA P10253 1/20 0.38
RXRA P19793 1/20 0.38
RXRB P28702 1/20 0.38
RXRG P48443 1/20 0.38
ALDH1A1 P00352 2/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
DDB1 Q16531 1/20 0.36
CRBN Q96SW2 1/20 0.36
EPHX2 P34913 1/20 0.36
SLC6A2 P23975 1/20 0.35
SLC6A4 P31645 1/20 0.35
SLC6A3 Q01959 1/20 0.35
SCN9A Q15858 2/20 0.35
POLB P06746 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
TRPA1 O75762 1/20 0.35
ALPL P05186 1/20 0.35
SLC22A12 Q96S37 2/20 0.34
KDM4E B2RXH2 1/20 0.34

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
SCHEMBL2090917 1.00 HSD11B1 (0.40) HSD11B1GAARXRARXRBRXRG
SCHEMBL2099505 0.82
SCHEMBL2099503 0.82
SCHEMBL4654446 0.82 RXRA (0.47) HSD11B1GAARXRARXRBRXRG
SCHEMBL9242571 0.78 HSD11B1 (0.53) HSD11B1GAARXRARXRBRXRG
SCHEMBL7701143 0.75 ALDH1A1 (0.50) HSD11B1ALDH1A1L3MBTL1SCN9APOLB
SCHEMBL28098554 0.74 HSD11B1 (0.42) HSD11B1GAARXRARXRBRXRG
SCHEMBL6371363 0.74 TDP1 (0.47) HSD11B1GAARXRARXRBRXRG
SCHEMBL30707956 0.74 RXRA (0.47) HSD11B1GAARXRARXRBRXRG
SCHEMBL17420774 0.74 RXRA (0.47) HSD11B1GAARXRARXRBRXRG

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070299100-A1 Analgesic TORAY INDUSTRIES, INC. (JP) 2007-12-27 US claimed
EP-1820505-A1 ANALGESIC TORAY INDUSTRIES, INC. (JP) 2007-08-22 EP claimed
EP-2168579-B1 ORAL PREPARATION COMPRISING SPECIFIC ORGANIC ACID, AND METHOD FOR IMPROVEMENT IN DISSOLUTION PROPERTY AND CHEMICAL STABILITY OF ORAL PREPARATION TORAY INDUSTRIES (JP) 2017-10-11 EP disclosed
US-9084817-B2 Oral preparation comprising specific organic acid, and method for improvement in elution property and chemical stability of oral preparation TORAY INDUSTRIES, INC. (JP) 2015-07-21 US disclosed
EP-2156838-B1 METHOD FOR PRODUCING PHARMACEUTICAL TABLET TORAY INDUSTRIES (JP) 2015-01-21 EP disclosed
US-8927011-B2 Method for producing pharmaceutical tablet TORAY INDUSTRIES, INC. (JP) 2015-01-06 US disclosed
EP-1555266-B1 REMEDIES OR PREVENTIVES FOR URINARY INCONTINENCE AND MORPHINAN DERIVATIVES HAVING NITROGEN-CONTAINING HETEROCYCLIC GROUP TORAY INDUSTRIES (JP) 2014-05-21 EP disclosed
US-8470845-B2 Analgesic and methods of treating pain TORAY INDUSTRIES, INC. (JP) 2013-06-25 US 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
US-20100215750-A1 ORAL PREPARATION COMPRISING SPECIFIC ORGANIC ACID, AND METHOD FOR IMPROVEMENT IN ELUTION PROPERTY AND CHEMICAL STABILITY OF ORAL PREPARATION TORAY INDUSTRIES, INC. (JP) 2010-08-26 US disclosed
US-20100151016-A1 METHOD FOR PRODUCING PHARMACEUTICAL TABLET TORAY INDUSTRIES, INC. (JP) 2010-06-17 US 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-7320984-B2 Remedies or preventives for urinary frequency or urinary incontinence and morphinan derivatives having nitrogen-containing heterocyclic group TORAY INDUSTRIES, INC. (JP) 2008-01-22 US disclosed
US-20070299100-A1 Analgesic TORAY INDUSTRIES, INC. (JP) 2007-12-27 US disclosed
EP-1820505-A1 ANALGESIC TORAY INDUSTRIES, INC. (JP) 2007-08-22 EP disclosed
EP-1736157-A1 ANTI-ITCHING AGENT TORAY INDUSTRIES, INC. (JP) 2006-12-27 EP disclosed
EP-1678185-A1 2,3-DIHYDRO-6-NITROIMIDAZO [2,1-B] OXAZOLE COMPOUNDS FOR THE TREATMENT OF TUBERCULOSIS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2006-07-12 EP disclosed
US-20060040970-A1 Remedies or preventives for urinary frequency or urinary incontinence and morphinan derivatives having nitrogen-containing heterocyclic group TORAY INDUSTRIES, INC. (JP) 2006-02-23 US disclosed
EP-1555266-A1 REMEDIES OR PREVENTIVES FOR URINARY FREQUENCY OR URINARY INCONTINENCE AND MORPHINAN DERIVATIVES HAVING NITROGEN-CONTAINING HETEROCYCLIC GROUP TORAY INDUSTRIES, INC. (JP) 2005-07-20 EP disclosed
WO-2005042542-A1 2,3-DIHYDRO-6-NITROIMIDAZO (2,1-B) OXAZOLE COMPOUNDS FOR THE TREATMENT OF TUBERCULOSIS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2005-05-12 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 (5 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-20070299100-A1 Analgesic OPRK1, OPRL1, OPRM1 HSD11B1 1972/4885GAA 2620/4885RXRA 1373/4885
US-20080119478-A1 2,3-Dihydro-6-Nitroimidazo (2,1-b) Oxazole Compounds for the Treatment of Tuberculosis NR2C2, NR0B2, NR4A2 HSD11B1 773/4885GAA 3982/4885RXRA 179/4885
US-20100151016-A1 METHOD FOR PRODUCING PHARMACEUTICAL TABLET FASN, SORD, SDHA HSD11B1 330/4885GAA 359/4885RXRA 2731/4885
US-20100215750-A1 ORAL PREPARATION COMPRISING SPECIFIC ORGANIC ACID, AND METHOD FOR IMPROVEMENT IN ELUTION PROPERTY AND CHEMICAL STABILITY OF ORAL PREPARATION SORD, OSTC, OAT HSD11B1 375/4885GAA 546/4885RXRA 924/4885
US-20060040970-A1 Remedies or preventives for urinary frequency or urinary incontinence and morphinan derivatives having nitrogen-containing heterocyclic group MYH10, H1-10, MB HSD11B1 1969/4885GAA 2746/4885RXRA 807/4885

“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.