SCHEMBL5451013

SCHEMBL5451013

COCc1cc(O)cc(C(=O)O)c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 4/20 0.56
CA1 P00915 4/20 0.56
CA2 P00918 4/20 0.56
CA7 P43166 4/20 0.56
CA9 Q16790 4/20 0.56
CA14 Q9ULX7 4/20 0.56
HCAR1 Q9BXC0 3/20 0.52
PKM P14618 2/20 0.46
CA3 P07451 1/20 0.46
CA4 P22748 1/20 0.46
CA6 P23280 1/20 0.46
CA5A P35218 1/20 0.46
CA5B Q9Y2D0 1/20 0.46
HSP90AB1 P08238 1/20 0.44
BRD4 O60885 1/20 0.44
CREBBP Q92793 1/20 0.44
HCAR2 Q8TDS4 1/20 0.43
PTGS2 P35354 1/20 0.43
TP53 P04637 2/20 0.41
LMNA P02545 1/20 0.41

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
SCHEMBL17395798 0.90 BRD4 (0.50) CA12CA1CA2CA7CA9
SCHEMBL5454978 0.90 BRD4 (0.47) CA12CA1CA2CA7CA9
SCHEMBL28488130 0.85 CA5A (0.59) CA12CA1CA2CA7CA9
SCHEMBL25369619 0.81 BRD4 (0.45) CA12CA1CA2CA7CA9
SCHEMBL30694770 0.81 BRD4 (0.45) CA12CA1CA2CA7CA9
SCHEMBL4651610 0.81 CA12 (0.50) CA12CA1CA2CA7CA9
SCHEMBL27811020 0.80 CA12 (0.50) CA12CA1CA2CA7CA9
SCHEMBL10952902 0.80 CA12 (0.60) CA12CA1CA2CA7CA9
SCHEMBL6017515 0.79 UNG (0.43) CA12CA1CA2CA7CA9
SCHEMBL5237545 0.79 HSP90AB1 (0.46) CA12CA1CA2CA7CA9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8530512-B2 Broad spectrum gram-positive antimicrobials and anthelmintics with efficacy against drug-resistant strains and Mycobacterium species MONTE AARON P (US) 2013-09-10 US disclosed
US-20070292545-A1 ANTI-INFECTIVE AGENTS AND METHODS OF USE WISYS TECHNOLOGY FOUNDATION 2007-12-20 US 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-20070292545-A1 ANTI-INFECTIVE AGENTS AND METHODS OF USE H1-3, H1-0, H1-2 CA12 3271/4885CA1 3169/4885CA2 1848/4885

“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.