SCHEMBL23328394

SCHEMBL23328394

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

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FPR2 P25090 1/20 0.56
EPHX2 P34913 1/20 0.49
MEN1 O00255 3/20 0.46
KMT2A Q03164 3/20 0.46
CA1 P00915 2/20 0.46
CA2 P00918 2/20 0.46
CA12 O43570 1/20 0.46
MAPT P10636 1/20 0.46
CA9 Q16790 1/20 0.46
MTOR P42345 2/20 0.43
CDK1 P06493 1/20 0.43
ALDH1A1 P00352 2/20 0.43
POLB P06746 1/20 0.43
KIF11 P52732 1/20 0.43
TGM2 P21980 1/20 0.43
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
NAMPT P43490 1/20 0.43
LMNA P02545 2/20 0.42
HTT P42858 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
SCHEMBL23328363 0.83 CDK1 (0.63) FPR2EPHX2MEN1KMT2ACA1
SCHEMBL23328365 0.83 FPR2 (0.67) FPR2EPHX2MEN1KMT2ACA1
SCHEMBL23328438 0.83 MEN1 (0.45) FPR2EPHX2MEN1KMT2ACA1
SCHEMBL25840789 0.80 POLB (0.46) FPR2CA1CA2CA12MAPT
SCHEMBL25841134 0.78 EPHX2 (0.51) EPHX2MEN1KMT2AMTORCDK1
SCHEMBL23328671 0.77 EPHX2 (0.54) EPHX2MEN1KMT2AMTORALDH1A1
SCHEMBL25841306 0.76 EPHX2 (0.49) EPHX2MEN1KMT2AMAPTMTOR
SCHEMBL23328894 0.76 CA12 (0.50) EPHX2MEN1KMT2ACA1CA12
SCHEMBL23328672 0.75 EPHX2 (0.51) EPHX2MEN1KMT2ACA1CA2
SCHEMBL13724812 0.74 MRGPRX4 (0.60) FPR2EPHX2NAMPT

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 FPR2 20/4885EPHX2 2581/4885MEN1 1300/4885
US-20210128501-A1 ANTIBACTERIAL COMPOUNDS ARF1, ARL1, TLR1 FPR2 20/4885EPHX2 2581/4885MEN1 1300/4885

“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.