Ammonia Solution, Strong

Ammonia Solution, Strong

SCHEMBL5622855

COc1cc2oc(=O)cc(C[C@H](OC(=O)C(F)(F)F)C(=O)O)c2cc1OC.N

nearest known ligand 0.42

Full drug profile on Sugi Atlas →

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 7/20 0.42
▸ ALDH1A1 P00352 6/20 0.42
▸ HSD17B10 Q99714 2/20 0.42
▸ HPGD P15428 4/20 0.39
▸ HTT P42858 1/20 0.39
▸ LCK P06239 1/20 0.38
▸ MAPK1 P28482 1/20 0.38
▸ MEN1 O00255 3/20 0.37
▸ KMT2A Q03164 3/20 0.37
▸ CYP3A4 P08684 1/20 0.36
▸ CYP2C9 P11712 1/20 0.36
▸ NQO1 P15559 1/20 0.36
▸ SMN1; SMN2 Q16637 2/20 0.36
▸ MTNR1A P48039 1/20 0.35
▸ MTNR1B P49286 1/20 0.35
▸ ACHE P22303 1/20 0.35
▸ POLB P06746 1/20 0.35
▸ MMP1 P03956 1/20 0.35

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 SCHEMBL5623997 0.89 AR (0.41) KDM4EALDH1A1HSD17B10HPGDHTT
Ammonia Solution, Strong SCHEMBL5622452 0.85 KDM4E (0.57) KDM4EALDH1A1HSD17B10HPGDHTT
Ammonia Solution, Strong SCHEMBL5622456 0.82 ALDH1A1 (0.46) KDM4EALDH1A1HSD17B10HPGDHTT
Ammonia Solution, Strong SCHEMBL5623159 0.82 LCK (0.53) KDM4EALDH1A1LCKMEN1KMT2A
Trifluoroacetic Acid SCHEMBL5622861 0.81 KDM4E (0.44) KDM4EALDH1A1HSD17B10HPGDHTT
Trifluoroacetic Acid SCHEMBL5622863 0.81 KDM4E (0.44) KDM4EALDH1A1HSD17B10HPGDHTT
Ammonia Solution, Strong SCHEMBL5624887 0.81 KMT2A (0.47) KDM4EALDH1A1HSD17B10HPGDLCK
Ammonia Solution, Strong SCHEMBL6443994 0.78 KDM4C (0.40) KDM4EALDH1A1HPGDHTTLCK
SCHEMBL14473923 0.78 KDM4E (0.49) KDM4EALDH1A1HSD17B10HPGDHTT
Trifluoroacetic Acid SCHEMBL5624001 0.76 DPP4 (0.43) KDM4EALDH1A1HSD17B10HPGDHTT

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 3 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 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

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 KDM4E 3515/4885ALDH1A1 874/4885HSD17B10 750/4885

“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.

Send feedback