SCHEMBL13613012

SCHEMBL13613012

C=CCCCOc1ccc(CCNC(=O)OC(C)(C)C)cc1

nearest known ligand 0.53

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CA1 P00915 6/20 0.53
CA2 P00918 6/20 0.53
CA12 O43570 5/20 0.53
CA9 Q16790 5/20 0.53
ALDH1A1 P00352 2/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
KMT2A Q03164 3/20 0.45
GLA P06280 1/20 0.45
NAMPT P43490 1/20 0.45
ITGB3 P05106 1/20 0.45
ITGA2B P08514 1/20 0.45
SUCNR1 Q9BXA5 4/20 0.44
ACACB O00763 2/20 0.44
MEN1 O00255 2/20 0.44
NPC1 O15118 1/20 0.44
RAB9A P51151 1/20 0.44

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
SCHEMBL21314041 0.94 CA1 (0.52) CA1CA2CA12CA9ALDH1A1
SCHEMBL1541945 0.87 CA1 (0.64) CA1CA2CA12CA9ALDH1A1
SCHEMBL97962 0.86 CA2 (0.48) CA1CA2CA12CA9KMT2A
SCHEMBL15032923 0.84 CA1 (0.59) CA1CA2CA12CA9ALDH1A1
SCHEMBL26964370 0.84 CA1 (0.56) CA1CA2CA12CA9ALDH1A1
SCHEMBL19003451 0.84 ACACB (0.61) CA1CA2CA12CA9ALDH1A1
SCHEMBL27741033 0.83 ACACB (0.59) CA1CA2CA12CA9KMT2A
SCHEMBL23565365 0.83 CA2 (0.48) CA1CA2NAMPT
SCHEMBL31108265 0.83 CA1 (0.55) CA1CA2CA12CA9L3MBTL1
SCHEMBL13886735 0.83 NPC1 (0.57) CA1CA2CA12CA9KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7612084-B2 Amine derivatives for the treatment of asthma and COPD PFIZER INC (US) 2009-11-03 US disclosed
US-7612084-B2 Amine derivatives for the treatment of asthma and COPD PFIZER INC (US) 2009-11-03 US disclosed
US-20090253739-A1 Amine Derivatives PFIZER INC 2009-10-08 US disclosed
US-20090253739-A1 Amine Derivatives PFIZER INC 2009-10-08 US disclosed
US-20070265303-A1 Amine derivatives PFIZER LIMITED 2007-11-15 US disclosed
US-20070265303-A1 Amine derivatives PFIZER LIMITED 2007-11-15 US disclosed
WO-2007107828-A2 AMINE DERIVATIVES PFIZER LIMITED (GB) 2007-09-27 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-20070265303-A1 Amine derivatives HNMT, HRH4, CMA1 CA1 3258/4885CA2 2884/4885CA12 2512/4885
US-20090253739-A1 Amine Derivatives HNMT, HRH4, CMA1 CA1 3258/4885CA2 2884/4885CA12 2512/4885

“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.