SCHEMBL23328894

SCHEMBL23328894

N=C(NCP(=O)(O)O)Nc1ccc(C(F)(F)F)cc1

nearest known ligand 0.50

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.50
CA1 P00915 1/20 0.50
MMP2 P08253 1/20 0.50
EPHX2 P34913 1/20 0.49
NPC1 O15118 1/20 0.46
RAB9A P51151 1/20 0.46
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
PTGS1 P23219 3/20 0.44
TRPV1 Q8NER1 2/20 0.44
MTOR P42345 2/20 0.43
CDK1 P06493 1/20 0.43
RORC P51449 1/20 0.43
KIF11 P52732 1/20 0.43
TGM2 P21980 1/20 0.43
NAMPT P43490 1/20 0.43

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
SCHEMBL25841022 0.86 FPR2 (0.49) CA12CA1MMP2EPHX2NPC1
SCHEMBL23328392 0.83 EPHX2 (0.64) CA12CA1MMP2EPHX2NPC1
SCHEMBL23328399 0.82 CDK1 (0.61) CA12CA1MMP2EPHX2NPC1
SCHEMBL25840791 0.80 CA12 (0.46) CA12CA1NPC1RAB9AMEN1
SCHEMBL25841134 0.78 EPHX2 (0.51) EPHX2NPC1RAB9AMEN1KMT2A
SCHEMBL23328671 0.77 EPHX2 (0.54) EPHX2NPC1RAB9AMEN1KMT2A
SCHEMBL25841306 0.76 EPHX2 (0.49) EPHX2NPC1RAB9AMEN1KMT2A
SCHEMBL23328394 0.76 FPR2 (0.56) CA12CA1EPHX2NPC1RAB9A
SCHEMBL23328672 0.75 EPHX2 (0.51) CA12CA1EPHX2NPC1RAB9A
SCHEMBL9811846 0.73 CA12 (0.58) CA12CA1MMP2EPHX2NPC1

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-11701333-B2 Antibacterial compounds Kent Innovation & Enterprise (GB) 2023-07-18 US disclosed
US-20210128501-A1 ANTIBACTERIAL COMPOUNDS KENT INNOVATION & ENTERPRISE, UNIVERSITY OF KENT (GB) 2021-05-06 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 (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-11701333-B2 Antibacterial compounds ARF1, ARL1, TLR1 CA12 3999/4885CA1 4609/4885MMP2 3324/4885
US-20210128501-A1 ANTIBACTERIAL COMPOUNDS ARF1, ARL1, TLR1 CA12 3999/4885CA1 4609/4885MMP2 3324/4885

“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.