Ammonia Solution, Strong

Ammonia Solution, Strong

SCHEMBL6572415

CC(C)C(O)(Cc1ccccc1)C(C)C.N

nearest known ligand 0.50

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 3/20 0.50
FDPS P14324 1/20 0.48
CYP1A2 P05177 1/20 0.48
CYP2C9 P11712 1/20 0.48
CYP2C19 P33261 1/20 0.48
TAAR1 Q96RJ0 5/20 0.45
SLC6A2 P23975 3/20 0.45
SIGMAR1 Q99720 2/20 0.42
CYP2D6 P10635 2/20 0.42
SLC18A2 Q05940 1/20 0.42
LMNA P02545 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.41
HIF1A Q16665 1/20 0.41
MAOA P21397 1/20 0.40
SLC6A4 P31645 1/20 0.40
SLC6A3 Q01959 1/20 0.40
CYP2A6 P11509 1/20 0.40
ADORA2A P29274 1/20 0.40
ADORA1 P30542 1/20 0.40
KCNA5 P22460 1/20 0.38

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 SCHEMBL27822678 0.85 TRPA1 (0.53) TRPA1FDPSCYP1A2CYP2C9CYP2C19
Ammonia Solution, Strong SCHEMBL7744739 0.85 TRPA1 (0.53) TRPA1FDPSCYP1A2CYP2C9CYP2C19
SCHEMBL25043590 0.83 TRPA1 (0.55) TRPA1FDPSCYP1A2CYP2C9CYP2C19
SCHEMBL4445459 0.80 TRPA1 (0.52) TRPA1FDPSCYP1A2CYP2C9CYP2C19
SCHEMBL10562388 0.79 TRPA1 (0.56) TRPA1FDPSCYP1A2CYP2C9CYP2C19
SCHEMBL18096764 0.76 TRPA1 (0.53) TRPA1FDPSCYP1A2CYP2C9CYP2C19
Ammonia Solution, Strong SCHEMBL28248128 0.76 TRPA1 (0.62) TRPA1CYP1A2CYP2C9CYP2C19TAAR1
SCHEMBL14713913 0.75 TRPA1 (0.47) TRPA1FDPSCYP1A2CYP2C9CYP2C19
SCHEMBL28352524 0.75 TRPA1 (0.52) TRPA1FDPSCYP1A2CYP2C9CYP2C19
SCHEMBL9577914 0.75 CYP1A2 (0.55) TRPA1FDPSCYP1A2CYP2C9CYP2C19

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
EP-1406602-A2 USE OF SULFONYL ARYL OR HETEROARYL HYDROXAMIC ACIDS AND DERIVATIVES THEREOF AS AGGRECANASE INHIBITORS Pharmacia Corporation (US) 2004-04-14 EP disclosed
EP-1406626-A2 SULPHONYL ARYL HYDROXAMATES AND THEIR USE AS MMP INHIBITORS Pharmacia Corporation (US) 2004-04-14 EP disclosed
US-6716844-B2 ENZYME INHIBITORS; ANTIINFLAMMATORY AGENTS, ANTIARTHRITIC AGENTS PHARMACIA CORPORATION 2004-04-06 US disclosed
US-6696449-B2 CONTROL DEGRADATION OF CONENCTING TISSUE; CARDIOVASCULAR DISORDERS PHARMACIA CORPORATION 2004-02-24 US disclosed
US-6683078-B2 REDUCING DEGRADATION OF CONNECTIVE TISSUE DUE TO CANCER OR INFLAMMATION PHARMACIA CORPORATION 2004-01-27 US disclosed
EP-0984959-B1 AROMATIC SULFONYL ALPHA-HYDROXY HYDROXAMIC ACID COMPOUNDS PHARMACIA CORP (US) 2003-09-24 EP disclosed
US-20030171404-A1 Use of sulfonyl aryl or heteroaryl hydroxamic acids and derivatives thereof as aggrecanase inhibitors PHARMACIA CORPORATION 2003-09-11 US disclosed
US-20030073845-A1 Sulfonyl aryl hydroxamates and their use as matrix metalloprotease inhibitors PHARMACIA CORPORATION 2003-04-17 US disclosed
WO-2003007930-A2 USE OF SULFONYL ARYL OR HETEROARYL HYDROXAMIC ACIDS AND DERIVATIVES THEREOF AS AGGRECANASE INHIBITORS PHARMACIA CORPORATION (US) 2003-01-30 WO disclosed
WO-2003007954-A2 SULFONYL ARYL HYDROXAMATES AND THEIR USE AS MATRIX METALLOPROTEASE INHIBITORS PHARMACIA CORPORATION (US) 2003-01-30 WO disclosed
US-20020173508-A1 Aromatic sulfonyl alpha-hydroxy hydroxamic acid compounds PHARMACIA CORPORATION 2002-11-21 US disclosed
US-6476027-B1 N-hydroxy 4-sulfonyl butanamide compounds MONSANTO COMPANY 2002-11-05 US disclosed
US-6362183-B1 PROTEASE INHIBITORS; RHEUMATIC DISEASES; ANTITUMOR AGENTS G. D. SEARLE & COMPANY 2002-03-26 US disclosed
EP-0984959-A4 AROMATIC SULFONYL ALPHA-HYDROXY HYDROXAMIC ACID COMPOUNDS MONSANTO CO (US) 2001-05-02 EP disclosed
EP-0983258-A4 N-HYDROXY 4-SULFONYL BUTANAMIDE COMPOUNDS MONSANTO CO (US) 2001-01-17 EP disclosed
EP-0984959-A1 AROMATIC SULFONYL ALPHA-HYDROXY HYDROXAMIC ACID COMPOUNDS MONSANTO COMPANY (US) 2000-03-15 EP disclosed
EP-0983258-A1 N-HYDROXY 4-SULFONYL BUTANAMIDE COMPOUNDS MONSANTO COMPANY (US) 2000-03-08 EP disclosed
WO-1998039326-A1 AROMATIC SULFONYL ALPHA-HYDROXY HYDROXAMIC ACID COMPOUNDS MONSANTO COMPANY (US) 1998-09-11 WO disclosed
WO-1998039316-A1 N-HYDROXY 4-SULFONYL BUTANAMIDE COMPOUNDS MONSANTO COMPANY (US) 1998-09-11 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 (3 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-20030073845-A1 Sulfonyl aryl hydroxamates and their use as matrix metalloprotease inhibitors ARSA, MMP1, MMP3 TRPA1 1110/4885FDPS 2616/4885CYP1A2 920/4885
US-20020173508-A1 Aromatic sulfonyl alpha-hydroxy hydroxamic acid compounds MMP1, MMP2, MMP3 TRPA1 3250/4885FDPS 2709/4885CYP1A2 2483/4885
US-20030171404-A1 Use of sulfonyl aryl or heteroaryl hydroxamic acids and derivatives thereof as aggrecanase inhibitors ARSA, AADAC, ASPH TRPA1 2775/4885FDPS 1663/4885CYP1A2 1345/4885

“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.