SCHEMBL5621995

SCHEMBL5621995

N#Cc1ccc(NCCCc2ccc(S(=O)(=O)O)cc2)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 4/20 0.47
CA1 P00915 4/20 0.47
CA2 P00918 4/20 0.47
CA7 P43166 1/20 0.47
CA9 Q16790 3/20 0.47
CA4 P22748 1/20 0.47
CYP19A1 P11511 1/20 0.44
ALDH1A1 P00352 3/20 0.44
GAA P10253 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
LSS P48449 2/20 0.44
CNR1 P21554 1/20 0.42
CHRM1 P11229 1/20 0.42
HTR2A P28223 1/20 0.42
MCHR1 Q99705 1/20 0.42
ABCG2 Q9UNQ0 2/20 0.41
SAE1 Q9UBE0 1/20 0.41
UBA2 Q9UBT2 1/20 0.41
MAPT P10636 1/20 0.41
KMT2A Q03164 1/20 0.40

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
SCHEMBL6852408 0.97 CA12 (0.47) CA12CA1CA2CA7CA9
SCHEMBL2964166 0.80 BRD4 (0.40) CA12CA1CA2CA7CA9
SCHEMBL17295222 0.79 MAOB (0.46) CYP19A1CNR1CHRM1HTR2AMCHR1
SCHEMBL5516545 0.77 ALDH1A1 (0.44) CA1CA2ALDH1A1GAAABCG2
SCHEMBL5712397 0.75 PRSS1 (0.46) CA1CA2ALDH1A1GAAABCG2
SCHEMBL5712390 0.75 PRSS1 (0.46) CA1CA2ALDH1A1GAAABCG2
SCHEMBL6418566 0.75 PRSS1 (0.46) CA1CA2ALDH1A1GAAABCG2
SCHEMBL1894004 0.75 CA2 (0.55) CA12CA1CA2CA9CYP19A1
SCHEMBL4326552 0.74 CA2 (0.53) CA12CA1CA2CA9CYP19A1
Hydrochloric Acid SCHEMBL9662057 0.74 CA2 (0.53) CA12CA1CA2CA9CYP19A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070197519-A1 New Process For The Preparation Of Oxabispidines ASTRAZENECA AB (SE) 2007-08-23 US disclosed
US-7169921-B2 Process for the preparation of oxabispidines ASTRAZENECA AB (SE) 2007-01-30 US disclosed
EP-1385850-B1 NEW PROCESS FOR THE PREPARATION OF OXABISPIDINES ASTRAZENECA AB (SE) 2004-12-08 EP disclosed
US-20040181060-A1 Process for the preparation of oxabispidines ASTRAZENECA AB (SE) 2004-09-16 US disclosed
EP-1385850-A1 NEW PROCESS FOR THE PREPARATION OF OXABISPIDINES AstraZeneca AB (SE) 2004-02-04 EP disclosed
WO-2002083690-A1 NEW PROCESS FOR THE PREPARATION OF OXABISPIDINES ASTRAZENECA AB (SE) 2002-10-24 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 (2 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-20070197519-A1 New Process For The Preparation Of Oxabispidines TST, IDH3B, INTS6 CA12 3367/4885CA1 1773/4885CA2 3597/4885
US-20040181060-A1 Process for the preparation of oxabispidines ADH1C, ADH1A, CYP2E1 CA12 3843/4885CA1 1581/4885CA2 2354/4885

“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.