SCHEMBL6248066

SCHEMBL6248066

O=C(O)[C@@H](Br)CCc1ccccc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CNR2 P34972 1/20 0.49
▸ TSHR P16473 1/20 0.49
▸ KEAP1 Q14145 1/20 0.48
▸ ANPEP P15144 2/20 0.47
▸ ERAP1 Q9NZ08 2/20 0.47
▸ ERAP2 Q6P179 1/20 0.47
▸ CYP1A2 P05177 1/20 0.47
▸ SMN1; SMN2 Q16637 3/20 0.46
▸ MME P08473 1/20 0.46
▸ PPARG P37231 1/20 0.46
▸ PPARA Q07869 1/20 0.46
▸ NPC1 O15118 1/20 0.46
▸ RAB9A P51151 1/20 0.46
▸ MEN1 O00255 1/20 0.46
▸ HTT P42858 1/20 0.46
▸ KMT2A Q03164 1/20 0.46
▸ HPGD P15428 1/20 0.46
▸ ACP3 P15309 1/20 0.46
▸ HDAC3 O15379 1/20 0.45
▸ MAPK1 P28482 1/20 0.45

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
SCHEMBL4061138 1.00 CNR2 (0.49) CNR2TSHRKEAP1ANPEPERAP1
SCHEMBL5870056 1.00 CNR2 (0.49) CNR2TSHRKEAP1ANPEPERAP1
SCHEMBL11831098 0.89 MMP12 (0.58) TSHRMMEHTT
SCHEMBL28160685 0.88 GRIK1 (0.54) KEAP1SMN1; SMN2PPARGPPARANPC1
SCHEMBL12222240 0.88 GRIK1 (0.54) KEAP1SMN1; SMN2PPARGPPARANPC1
SCHEMBL8472563 0.84 ERAP1 (0.49) CNR2TSHRKEAP1ANPEPERAP1
SCHEMBL27758940 0.82 MMP12 (0.47) ANPEPERAP1ERAP2SMN1; SMN2RAB9A
SCHEMBL10518208 0.82 ALDH1A1 (0.47) TSHRANPEPPPARAMEN1KMT2A
SCHEMBL11083245 0.82 MDM2 (0.52) CNR2TSHRKEAP1ANPEPERAP1
SCHEMBL2291948 0.80 MMP8 (0.56) CNR2TSHRKEAP1ANPEPERAP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8540966-B2 Contrast agents endowed with high relaxivity BRACCO IMAGING S.P.A. (IT) 2013-09-24 — — US disclosed
US-20110256067-A1 Contrast agents endowed with high relaxivity BRACCO IMAGING SPA (IT) 2011-10-20 — — US disclosed
US-20110082280-A1 Methods Of Coupling Multidentate AZA Ligands To Targeting Molecules BRACCO IMAGING S.P.A. (IT) 2011-04-07 — — US disclosed
WO-2005032541-A1 SUBSTITUTED HETEROCYCLIC MERCAPTOSULFIDE INHIBITORS FLORIDA STATE UNIVERSITY RESEARCH FOUNDATION, INC. (US) 2005-04-14 — — WO disclosed
WO-2005032541-A1 SUBSTITUTED HETEROCYCLIC MERCAPTOSULFIDE INHIBITORS FLORIDA STATE UNIVERSITY RESEARCH FOUNDATION, INC. (US) 2005-04-14 — — WO disclosed
EP-0728144-B1 PEPTIDYL COMPOUNDS AND THEIR THERAPEUTIC USE AS INHIBITORS OF METALLOPROTEINASES DARWIN DISCOVERY LTD (GB) 2000-01-19 — — EP disclosed
US-5853623-A Peptidyl compounds and their therapeutic use as inhibitors of metalloproteinases CHIROSCIENCE LIMITED (GB) 1998-12-29 — — 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-20110256067-A1 Contrast agents endowed with high relaxivity SLC40A1, SLC67A1, SLC19A1 CNR2 163/4885TSHR 1182/4885KEAP1 2061/4885
US-20110082280-A1 Methods Of Coupling Multidentate AZA Ligands To Targeting Molecules CD99, CD209, PRMT9 CNR2 3961/4885TSHR 10/4885KEAP1 4837/4885

“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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