SCHEMBL5694845

SCHEMBL5694845

C=C(CONC(=O)OC(C)(C)C)c1ccccc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.42
CA1 P00915 1/20 0.42
CA7 P43166 1/20 0.42
CA14 Q9ULX7 1/20 0.42
CTSK P43235 3/20 0.40
PPARG P37231 3/20 0.40
PPARA Q07869 3/20 0.40
PPARD Q03181 2/20 0.40
AKT1 P31749 2/20 0.40
MAOA P21397 2/20 0.40
MAOB P27338 2/20 0.40
SLC7A5 Q01650 1/20 0.39
MEN1 O00255 1/20 0.39
NPC1 O15118 1/20 0.39
GAA P10253 1/20 0.39
RAB9A P51151 1/20 0.39
KMT2A Q03164 1/20 0.39
CTSS P25774 3/20 0.39
ATM Q13315 1/20 0.39
ALDH1A1 P00352 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
SCHEMBL5158225 0.79 MAOA (0.46) CA12CA1CA7CA14CTSK
SCHEMBL5694861 0.77 MEN1 (0.45) CA12CA1CA7CA14CTSK
SCHEMBL3218996 0.77 L3MBTL1 (0.42) CA12CA1CA7CA14PPARG
SCHEMBL716007 0.75 NPC1 (0.56) CA12CA1CA7CA14CTSK
SCHEMBL307685 0.73 APLNR (0.43) CA12CA1CA7CA14CTSK
SCHEMBL1948795 0.73 ALDH1A1 (0.58) CA12CA1CA7CA14PPARG
SCHEMBL9551202 0.72 MAOA (0.42) MAOAMAOBATMALDH1A1TSHR
SCHEMBL18490885 0.72 PPARA (0.54) CA12CA1CA7CA14CTSK
SCHEMBL28067040 0.72 KMT2A (0.47) CA12CA1CA7CA14PPARG
SCHEMBL23886965 0.71 IDO1 (0.53) CA12CA1MEN1GAAKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2006094201-A2 SEMICARBAZIDE-SENSITIVE AMIDE OXIDASE INHIBITORS LA JOLLA PHARMACEUTICAL COMPANY (US) 2006-09-08 WO disclosed
EP-1663954-A2 INHIBITORS OF SEMICARBAZIDE-SENSITIVE AMINE OXIDASE (SSAO) AND VAP-1 MEDIATED ADHESION USEFUL FOR TREATMENT OF DISEASES LA JOLLA PHARMACEUTICAL CO. (US) 2006-06-07 EP disclosed
US-20050096360-A1 Inhibitors of semicarbazide-sensitive amine oxidase (SSAO) and VAP-1 mediated adhesion useful for treatment of diseases LA JOLLA PHARMACEUTICALS COMPANY 2005-05-05 US disclosed
WO-2005014530-A2 INHIBITORS OF SEMICARBAZIDE-SENSITIVE AMINE OXIDASE (SSAO) AND VAP-1 MEDIATED ADHESION USEFUL FOR TREATMENT OF DISEASES LA JOLLA PHARMACEUTICAL CO. (US) 2005-02-17 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-20050096360-A1 Inhibitors of semicarbazide-sensitive amine oxidase (SSAO) and VAP-1 mediated adhesion useful for treatment of diseases VCAM1, AOC2, AOC3 CA12 4135/4885CA1 3790/4885CA7 4307/4885

“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.