SCHEMBL6089

SCHEMBL6089

NC(=O)CCCc1ccc(-c2cnc3ccccc3c2)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.52
CA1 P00915 1/20 0.52
CA2 P00918 1/20 0.52
CA9 Q16790 1/20 0.52
PDGFRB P09619 2/20 0.49
PDGFRA P16234 2/20 0.49
TRPV1 Q8NER1 6/20 0.47
MAP4K4 O95819 1/20 0.47
CSNK1G2 P78368 1/20 0.47
CLK4 Q9HAZ1 1/20 0.47
MKNK2 Q9HBH9 1/20 0.47
MAP4K5 Q9Y4K4 1/20 0.47
PIK3CD O00329 1/20 0.45
PIK3CA P42336 1/20 0.45
TDP2 O95551 1/20 0.44
CYP2A6 P11509 1/20 0.43
CFTR P13569 1/20 0.43
FASN P49327 1/20 0.43
BIRC5 O15392 1/20 0.43
MGAM O43451 1/20 0.42

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
SCHEMBL20508315 0.81 TRPV1 (0.59) TRPV1
SCHEMBL21045444 0.79 HDAC1 (0.54) TRPV1CYP2A6
SCHEMBL29411626 0.79 HDAC1 (0.54) TRPV1CYP2A6
SCHEMBL26613435 0.77 CA12 (0.60) CA12CA1CA2CA9PDGFRB
SCHEMBL530807 0.77 TRPM5 (0.50) TRPV1CFTRMGAM
SCHEMBL26613461 0.77 PDGFRB (0.60) CA12CA1CA2CA9PDGFRB
SCHEMBL27708770 0.77 PDGFRB (0.60) CA12CA1CA2CA9PDGFRB
SCHEMBL11898603 0.77 PIK3C3 (0.46) MAP4K4
SCHEMBL17986782 0.77 ESR2 (0.44) PDGFRBPDGFRATRPV1PIK3CDPIK3CA
SCHEMBL11262500 0.76 FFAR1 (0.63)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140364398-A1 C-Linked Hydroxamic Acid Derivatives Useful As Antibacterial Agents PFIZER INC. (US) 2014-12-11 US disclosed
US-8853258-B2 C-linked hydroxamic acid derivatives useful as antibacterial agents PFIZER INC. (US) 2014-10-07 US disclosed
EP-2488489-A2 C-LINKED HYDROXAMIC ACID DERIVATIVES USEFUL AS ANTIBACTERIAL AGENTS Pfizer Inc. (US) 2012-08-22 EP disclosed
US-20120202777-A1 C-Linked Hydroxamic Acid Derivatives Useful As Antibacterial Agents BROWN MATTHEW FRANK (US) 2012-08-09 US disclosed
WO-2011045703-A2 C-LINKED HYDROXAMIC ACID DERIVATIVES USEFUL AS ANTIBACTERIAL AGENTS PFIZER INC. (US) 2011-04-21 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-20120202777-A1 C-Linked Hydroxamic Acid Derivatives Useful As Antibacterial Agents HAX1, LPXN, AGXT CA12 2430/4885CA1 2035/4885CA2 1239/4885
US-20140364398-A1 C-Linked Hydroxamic Acid Derivatives Useful As Antibacterial Agents LCT, AGXT, PRXL2A CA12 1937/4885CA1 2659/4885CA2 1183/4885

“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.