SCHEMBL1072482

SCHEMBL1072482

N[C@@H](Cc1ccc2ccc3cccc4ccc1c2c34)C(=O)O

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 4/20 0.55
▸ MEN1 O00255 3/20 0.55
▸ NOS3 P29474 5/20 0.47
▸ NOS1 P29475 5/20 0.47
▸ NOS2 P35228 5/20 0.47
▸ PKM P14618 2/20 0.46
▸ ALPI P09923 1/20 0.46
▸ PTGS1 P23219 1/20 0.46
▸ XIAP P98170 1/20 0.46
▸ SLC7A5 Q01650 1/20 0.46
▸ KDM4E B2RXH2 4/20 0.46
▸ MAPT P10636 3/20 0.46
▸ LMNA P02545 2/20 0.46
▸ BLM P54132 2/20 0.46
▸ PMP22 Q01453 2/20 0.46
▸ HIF1A Q16665 2/20 0.46
▸ MPO P05164 1/20 0.46
▸ TSHR P16473 1/20 0.46
▸ ALDH1A1 P00352 4/20 0.45
▸ RECQL P46063 2/20 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
SCHEMBL28879239 1.00 KMT2A (0.55) KMT2AMEN1NOS3NOS1NOS2
SCHEMBL22122444 1.00 KMT2A (0.55) KMT2AMEN1NOS3NOS1NOS2
SCHEMBL5527768 0.81 KMT2A (0.55) KMT2AMEN1KDM4EMAPTTSHR
SCHEMBL29482763 0.79 CTNNB1 (0.59) KMT2AMEN1NOS3NOS1NOS2
SCHEMBL93515 0.79 CTNNB1 (0.59) KMT2AMEN1NOS3NOS1NOS2
SCHEMBL660499 0.79 CTNNB1 (0.59) KMT2AMEN1NOS3NOS1NOS2
SCHEMBL29397858 0.79 CTNNB1 (0.59) KMT2AMEN1NOS3NOS1NOS2
SCHEMBL93516 0.79 CTNNB1 (0.59) KMT2AMEN1NOS3NOS1NOS2
SCHEMBL29397866 0.79 CTNNB1 (0.59) KMT2AMEN1NOS3NOS1NOS2
Pyrene SCHEMBL28205462 0.79 SLC7A5 (0.76) NOS3NOS1NOS2PKMALPI

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170370916-A1 HIGH-SENSITIVE FLUORESCENT ENERGY TRANSFER ASSAY USING FLUORESCENT AMINO ACIDS AND FLUORESCENT PROTEINS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2017-12-28 — — US disclosed
US-20150369800-A1 HIGH-SENSITIVE FLUORESCENT ENERGY TRANSFER ASSAY USING FLUORESCENT AMINO ACIDS AND FLUORESENT PROTEINS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2015-12-24 — — US disclosed
WO-2015175941-A1 CYSTEINE ARYLATION DIRECTED BY A GENETICALLY ENCODABLE π-CLAMP MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2015-11-19 — — WO disclosed
US-8940506-B2 High-sensitive fluorescent energy transfer assay using fluoresent amino acids and fluorescent proteins THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2015-01-27 — — US disclosed
US-20110117556-A1 HIGH-SENSITIVE FLUORESCENT ENERGY TRANSFER ASSAY USING FLUORESCENT AMINO ACIDS AND FLUORESENT PROTEINS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2011-05-19 — — US disclosed
EP-2271662-A2 HIGH-SENSITIVE FLUORESCENT ENERGY TRANSFER ASSAY USING FLUORESCENT AMINO ACIDS AND FLUORESENT PROTEINS The Regents Of The University Of California (US) 2011-01-12 — — EP disclosed
WO-2009117726-A2 HIGH-SENSITIVE FLUORESCENT ENERGY TRANSFER ASSAY USING FLUORESCENT AMINO ACIDS AND FLUORESENT PROTEINS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2009-09-24 — — WO disclosed
US-20070161807-A1 Method for manufacturing optically pure coumaryl amino acids and the novel coumaryl aminoacids thus obtained INSERM (INSTITUT NATIONAL DE LA SANT'E ET DE LA RECHERCHE MEDICALE (FR) 2007-07-12 — — US disclosed
EP-1711483-A2 A METHOD FOR MANUFACTURING OPTICALLY PURE COUMARYL AMINO ACID SALTS AND THE COUMARYL AMINO ACID SALTS THUS OBTAINED INSTITUT NATIONAL DE LA SANTE ET DE LA RECHERCHE MEDICALE (INSERM) (FR) 2006-10-18 — — EP disclosed
WO-2005075448-A2 A METHOD FOR MANUFACTURING OPTICALLY PURE COUMARYL AMINO ACIDS SALTS AND THE COUMARYL AMINO ACID SALTS THUS OBTAINED INSTITUT NATIONAL DE LA RECHERCHE MEDICALE (INSERM) (FR) 2005-08-18 — — WO disclosed
EP-1559712-A1 A method for manufacturing optically active coumaryl amino acid salts and the coumaryl aminoacid salts thus obtained INSTITUT NATIONAL DE LA SANTE ET DE LA RECHERCHE MEDICALE (INSERM) (FR) 2005-08-03 — — 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 (4 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-20070161807-A1 Method for manufacturing optically pure coumaryl amino acids and the novel coumaryl aminoacids thus obtained CRYAA, BCAT2, BCAT1 KMT2A 3259/4885MEN1 4557/4885NOS3 1162/4885
US-20110117556-A1 HIGH-SENSITIVE FLUORESCENT ENERGY TRANSFER ASSAY USING FLUORESCENT AMINO ACIDS AND FLUORESENT PROTEINS SLC7A1, SARS1, GFPT1 KMT2A 3456/4885MEN1 3695/4885NOS3 3567/4885
US-20150369800-A1 HIGH-SENSITIVE FLUORESCENT ENERGY TRANSFER ASSAY USING FLUORESCENT AMINO ACIDS AND FLUORESENT PROTEINS GFPT1, PHAX, TARBP1 KMT2A 3484/4885MEN1 3636/4885NOS3 3611/4885
US-20170370916-A1 HIGH-SENSITIVE FLUORESCENT ENERGY TRANSFER ASSAY USING FLUORESCENT AMINO ACIDS AND FLUORESCENT PROTEINS ACP1, BCAT1, SARS1 KMT2A 3471/4885MEN1 3513/4885NOS3 3607/4885

“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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