SCHEMBL731001

SCHEMBL731001

COC(=O)C1CC1c1ccc(Cl)c([N+](=O)[O-])c1

nearest known ligand 0.62

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ IDO1 P14902 2/20 0.62
▸ SLC6A4 P31645 8/20 0.47
▸ SLC6A3 Q01959 8/20 0.47
▸ SLC6A2 P23975 1/20 0.46
▸ ALDH1A1 P00352 1/20 0.45
▸ LMNA P02545 1/20 0.45
▸ RAF1 P04049 1/20 0.45
▸ MAPT P10636 1/20 0.45
▸ HPGD P15428 1/20 0.45
▸ MAPK1 P28482 1/20 0.45
▸ GFER P55789 1/20 0.45
▸ PAX8 Q06710 1/20 0.45
▸ VCAM1 P19320 1/20 0.44

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
SCHEMBL29150056 0.82 IDO1 (0.59) IDO1SLC6A4SLC6A3SLC6A2
SCHEMBL29924668 0.82 IDO1 (0.59) IDO1SLC6A4SLC6A3SLC6A2
SCHEMBL732698 0.79 SLC6A3 (0.51) SLC6A4SLC6A3SLC6A2
SCHEMBL13043598 0.78 IDO1 (0.54) IDO1ALDH1A1MAPTHPGD
SCHEMBL15248884 0.78 IDO1 (0.54) IDO1ALDH1A1MAPTHPGD
SCHEMBL17456173 0.77 IDO1 (1.00) IDO1
SCHEMBL17456174 0.77 IDO1 (1.00) IDO1
SCHEMBL15669125 0.77 SLC6A3 (0.52) SLC6A4SLC6A3SLC6A2
SCHEMBL30879548 0.76 SLC9A1 (0.62) IDO1ALDH1A1LMNAMAPTHPGD
SCHEMBL30879550 0.76 SLC9A1 (0.62) IDO1ALDH1A1LMNAMAPTHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1666473-B1 CARBOXYLIC ACID COMPOUNDS AND MEDICINAL COMPOSITIONS CONTAINING THE SAME AS THE ACTIVE INGREDIENT ONO PHARMACEUTICAL CO (JP) 2013-01-02 — — EP disclosed
US-8138335-B2 Carboxylic acid compounds and medicinal compositions containing the same as the active ingredient ONO PHARMACEUTICAL CO., LTD (JP) 2012-03-20 — — US disclosed
US-20100029631-A1 CARBOXYLIC ACID COMPOUNDS AND MEDICINAL COMPOSITIONS CONTAINING THE SAME AS THE ACTIVE INGREDIENT ONO PHARMACEUTICAL CO., LTD. (JP) 2010-02-04 — — US disclosed
US-20090312558-A1 PROCESS FOR THE PREPARATION OF ARYLCYCLOPROPOANE CARBOXYLIC CARBONITRILES, AND COMPOUNDS DERIVED THEREFROM RELIANCE LIFE SCIENCES PVT. LTD. (IN) 2009-12-17 — — US disclosed
WO-2009150660-A1 A PROCESS FOR THE PREPARATION OF ARYLCYCLOPROPANE CARBOXYLIC CARBONITRILES, AND COMPOUNDS DERIVED THEREFROM RELIANCE LIFE SCIENCES PVT. LTD. (IN) 2009-12-17 — — WO disclosed
US-7601712-B2 Such as (1)-2-(4-chloro-3-((2-chloro-4-(((2S)-4-methyl-3,4-dihydro-2H-1,4-benzoxazin-2-ly)methoxy)benzoyl)amino)phenyl)-2-methylpropanoic acid; prostaglandin receptor agonists ONO PHARMACEUTICAL CO., LTD. (JP) 2009-10-13 — — US disclosed
US-20070004716-A1 Carboxylic acid compounds and medicinal compositions containing the same as the active ingredient ONO PHARMACEUTICAL CO., LTD. (JP) 2007-01-04 — — US disclosed
CN-1882554-A Carboxylic acid compounds and pharmaceutical compositions containing them as active ingredient ONO PHARMACEUTICAL CO (JP) 2006-12-20 — — CN disclosed
EP-1666473-A1 CARBOXYLIC ACID COMPOUNDS AND MEDICINAL COMPOSITIONS CONTAINING THE SAME AS THE ACTIVE INGREDIENT ONO PHARMACEUTICAL CO., LTD. (JP) 2006-06-07 — — 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 (3 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-20090312558-A1 PROCESS FOR THE PREPARATION OF ARYLCYCLOPROPOANE CARBOXYLIC CARBONITRILES, AND COMPOUNDS DERIVED THEREFROM NOTUM, SULT2A1, SULT1A1 IDO1 1907/4885SLC6A4 3174/4885SLC6A3 2406/4885
US-20100029631-A1 CARBOXYLIC ACID COMPOUNDS AND MEDICINAL COMPOSITIONS CONTAINING THE SAME AS THE ACTIVE INGREDIENT GPR17, CYSLTR1, KIT IDO1 612/4885SLC6A4 3533/4885SLC6A3 3143/4885
US-20070004716-A1 Carboxylic acid compounds and medicinal compositions containing the same as the active ingredient GPR17, CYSLTR1, KIT IDO1 612/4885SLC6A4 3533/4885SLC6A3 3143/4885

“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.

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