Ammonia Solution, Strong

Ammonia Solution, Strong

SCHEMBL5624887

CCOc1ccc2c(C[C@H](OC(=O)C(F)(F)F)C(=O)O)cc(=O)oc2c1.N

nearest known ligand 0.47

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Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 5/20 0.47
▸ RAB9A P51151 3/20 0.47
▸ MEN1 O00255 2/20 0.47
▸ NPC1 O15118 2/20 0.47
▸ ALDH1A1 P00352 5/20 0.47
▸ PKM P14618 3/20 0.47
▸ POLB P06746 2/20 0.47
▸ L3MBTL1 Q9Y468 1/20 0.47
▸ KDM4E B2RXH2 5/20 0.46
▸ HPGD P15428 4/20 0.46
▸ MAPT P10636 2/20 0.46
▸ HSD17B10 Q99714 2/20 0.46
▸ AGER Q15109 1/20 0.46
▸ GAA P10253 1/20 0.46
▸ LMNA P02545 1/20 0.46
▸ TSHR P16473 1/20 0.46
▸ LCK P06239 1/20 0.46
▸ HSP90AA1 P07900 1/20 0.46
▸ CYP1A2 P05177 1/20 0.46
▸ CYP2D6 P10635 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
Ammonia Solution, Strong SCHEMBL5622452 0.91 KDM4E (0.57) KMT2ARAB9AMEN1NPC1ALDH1A1
Ammonia Solution, Strong SCHEMBL5623159 0.85 LCK (0.53) KMT2AMEN1ALDH1A1KDM4EGAA
Trifluoroacetic Acid SCHEMBL5624895 0.83 KMT2A (0.48) KMT2ARAB9AMEN1NPC1ALDH1A1
Trifluoroacetic Acid SCHEMBL5624898 0.83 KMT2A (0.48) KMT2ARAB9AMEN1NPC1ALDH1A1
Ammonia Solution, Strong SCHEMBL5623621 0.81 KDM4E (0.55) KMT2AMEN1ALDH1A1POLBKDM4E
Ammonia Solution, Strong SCHEMBL5622855 0.81 KDM4E (0.42) KMT2AMEN1ALDH1A1POLBKDM4E
SCHEMBL14473831 0.80 ALDH1A1 (0.53) KMT2ARAB9AMEN1NPC1ALDH1A1
Ammonia Solution, Strong SCHEMBL6443994 0.76 KDM4C (0.40) KMT2AMEN1NPC1ALDH1A1KDM4E
Ammonia Solution, Strong SCHEMBL5622456 0.76 ALDH1A1 (0.46) KMT2ARAB9AMEN1NPC1ALDH1A1
Ammonia Solution, Strong SCHEMBL5623997 0.74 AR (0.41) KMT2ARAB9AMEN1NPC1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 claimed
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 claimed
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 claimed
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 claimed
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 (1 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 3259/4885RAB9A 2962/4885MEN1 4557/4885

“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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