SCHEMBL2721068

SCHEMBL2721068

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

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ LCK P06239 1/20 1.00
▸ PPARD Q03181 1/20 1.00
▸ ZDHHC20 Q5W0Z9 1/20 1.00
▸ ZDHHC2 Q9UIJ5 1/20 1.00
▸ ZDHHC7 Q9NXF8 2/20 0.62
▸ GPR84 Q9NQS5 7/20 0.59
▸ FFAR1 O14842 2/20 0.59
▸ MAPT P10636 1/20 0.57
▸ ACE2 Q9BYF1 1/20 0.53
▸ GRIK1 P39086 2/20 0.48
▸ GRIK2 Q13002 2/20 0.48
▸ FFAR4 Q5NUL3 1/20 0.48
▸ SLC1A2 P43004 1/20 0.46
▸ SLC1A1 P43005 1/20 0.46

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
SCHEMBL10595854 1.00 LCK (1.00) LCKPPARDZDHHC20ZDHHC2ZDHHC7
SCHEMBL11595308 1.00 LCK (1.00) LCKPPARDZDHHC20ZDHHC2ZDHHC7
SCHEMBL9096771 1.00 LCK (1.00) LCKPPARDZDHHC20ZDHHC2ZDHHC7
SCHEMBL817063 1.00 LCK (1.00) LCKPPARDZDHHC20ZDHHC2ZDHHC7
SCHEMBL3954970 1.00 LCK (1.00) LCKPPARDZDHHC20ZDHHC2ZDHHC7
SCHEMBL3954525 1.00 LCK (1.00) LCKPPARDZDHHC20ZDHHC2ZDHHC7
SCHEMBL23829555 1.00 LCK (1.00) LCKPPARDZDHHC20ZDHHC2ZDHHC7
SCHEMBL337934 1.00 LCK (1.00) LCKPPARDZDHHC20ZDHHC2ZDHHC7
SCHEMBL8572016 1.00 LCK (1.00) LCKPPARDZDHHC20ZDHHC2ZDHHC7
SCHEMBL2718855 1.00 LCK (1.00) LCKPPARDZDHHC20ZDHHC2ZDHHC7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210289794-A1 COMPOSITIONS AND RELATED METHODS FOR AGRICULTURE FLAGSHIP PIONEERING INNOVATIONS V, INC. 2021-09-23 — — US disclosed
US-10925846-B2 Phenylketone carboxylate compounds and pharmaceutical compositions for the prevention and treatment of osteoporosis Liminal Biosciences Limited (GB) 2021-02-23 — — US disclosed
EP-3443957-B1 COMPOUNDS AND COMPOSITIONS FOR THE TREATMENT OF CANCER LIMINAL BIOSCIENCES LTD (GB) 2020-11-25 — — EP disclosed
CN-106999459-B Phenyl ketone carboxylate compounds and pharmaceutical compositions for the prevention and treatment of osteoporosis 里米诺生物科学有限公司 2020-07-10 — — CN disclosed
EP-3443957-A1 COMPOUNDS AND COMPOSITIONS FOR THE TREATMENT OF CANCER PROMETIC PHARMA SMT LIMITED (GB) 2019-02-20 — — EP disclosed
US-20190038580-A1 PHENYLKETONE CARBOXYLATE COMPOUNDS AND PHARAMCEUTICAL COMPOSITIONS FOR THE PREVENTION AND TREATMENT OF OSTEOPOROSIS Liminal Biosciences Limited (GB) 2019-02-07 — — US disclosed
EP-2632452-B1 COMPOUNDS AND COMPOSITIONS FOR THE TREATMENT OF CANCER PROMETIC PHARMA SMT LTD (GB) 2018-09-26 — — EP disclosed
EP-2632885-B1 PHENYLKETONE CARBOXYLATE COMPOUNDS AND PHARMACEUTICAL USES THEREOF PROMETIC PHARMA SMT LTD (GB) 2018-01-03 — — EP disclosed
US-9475750-B2 Phenylketone carboxylate compounds and pharmaceutical uses thereof PROMETIC BIOSCIENCES INC. (CA) 2016-10-25 — — US disclosed
US-9439882-B2 Compounds and compositions for the treatment of cancer PROMETIC BIOSCIENCES INC. (CA) 2016-09-13 — — US disclosed
US-20150313856-A1 COMPOUNDS AND COMPOSITIONS FOR THE TREATMENT OF CANCER PROMETIC PHARMA SMT LIMITED (GB) 2015-11-05 — — US disclosed
US-9114118-B2 Compounds and compositions for the treatment of cancer PROMETIC BIOSCIENCES INC. (CA) 2015-08-25 — — US disclosed
EP-2632885-A1 PHENYLKETONE CARBOXYLATE COMPOUNDS AND PHARMACEUTICAL USES THEREOF ProMetic BioSciences Inc. (CA) 2013-09-04 — — EP disclosed
EP-2632452-A1 COMPOUNDS AND COMPOSITIONS FOR THE TREATMENT OF CANCER ProMetic BioSciences Inc. (CA) 2013-09-04 — — EP disclosed
US-20130225681-A1 Phenylketone Carboxylate Compounds and Pharmaceutical Uses Thereof PROMETIC BIOSCIENCES INC. (CA) 2013-08-29 — — US disclosed
US-20130217645-A1 Compounds and Compositions for the Treatment of Cancer PROMETIC BIOSCIENCES INC. (CA) 2013-08-22 — — US disclosed
WO-2012097427-A1 COMPOUNDS AND COMPOSITIONS FOR THE TREATMENT OF CANCER PROMETIC BIOSCIENCES INC. (CA) 2012-07-26 — — WO disclosed
WO-2012055014-A1 PHENYLKETONE CARBOXYLATE COMPOUNDS AND PHARMACEUTICAL USES THEREOF PROMETIC BIOSCIENCES INC. (CA) 2012-05-03 — — WO disclosed
US-5852212-A Process for preparation of optically active α-bromo and α-chlorocarboxylic compounds ROLIC AG (CH) 1998-12-22 — — 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 (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-20130217645-A1 Compounds and Compositions for the Treatment of Cancer DCK, TOP2B, TOP2A LCK 2232/4885PPARD 1956/4885ZDHHC20 1884/4885
US-10925846-B2 Phenylketone carboxylate compounds and pharmaceutical compositions for the prevention and treatment of osteoporosis NCEH1, CTSH, BCKDK LCK 3962/4885PPARD 1421/4885ZDHHC20 154/4885
US-20130225681-A1 Phenylketone Carboxylate Compounds and Pharmaceutical Uses Thereof BCKDK, PDK4, FAH LCK 2836/4885PPARD 1802/4885ZDHHC20 172/4885
US-20190038580-A1 PHENYLKETONE CARBOXYLATE COMPOUNDS AND PHARAMCEUTICAL COMPOSITIONS FOR THE PREVENTION AND TREATMENT OF OSTEOPOROSIS PAH, NCEH1, CCNH LCK 3990/4885PPARD 1346/4885ZDHHC20 347/4885
US-20150313856-A1 COMPOUNDS AND COMPOSITIONS FOR THE TREATMENT OF CANCER DCK, TOP2B, TOP2A LCK 2232/4885PPARD 1956/4885ZDHHC20 1884/4885

“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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