SCHEMBL23328885

SCHEMBL23328885

COS(=O)(=O)CNC(=O)Nc1ccc(OCCCOc2ccc(NC(=O)NCS(=O)(=O)OC)c(C(F)(F)F)c2)cc1C(F)(F)F

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.42
CYP3A4 P08684 2/20 0.42
CYP2C19 P33261 2/20 0.42
CYP2D6 P10635 1/20 0.42
CYP2C9 P11712 1/20 0.42
S1PR1 P21453 1/20 0.41
S1PR3 Q99500 1/20 0.41
HRH3 Q9Y5N1 1/20 0.40
LMNA P02545 1/20 0.39
THRA P10827 1/20 0.38
THRB P10828 1/20 0.38
TP53 P04637 1/20 0.37
RXFP1 Q9HBX9 1/20 0.37
HPGD P15428 1/20 0.37
KDM4E B2RXH2 2/20 0.37
EPHX2 P34913 1/20 0.37
KMT2A Q03164 1/20 0.37
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
CA7 P43166 1/20 0.36

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
SCHEMBL23328884 0.87 HRH3 (0.42) CYP1A2CYP3A4CYP2C19CYP2D6CYP2C9
SCHEMBL23329072 0.78 CA12 (0.53) HRH3LMNAEPHX2KMT2ACA1
SCHEMBL23328374 0.70 MEN1 (0.59) EPHX2KMT2ACA1CA2CA7
SCHEMBL17224684 0.69 CYP1A2 (0.56) CYP1A2CYP2C19CYP2C9LMNATP53
SCHEMBL28628625 0.67 EPHX2 (0.59) LMNAEPHX2KMT2ATSHRHTT
SCHEMBL25919978 0.66 DRD2 (0.40) S1PR1S1PR3KMT2A
SCHEMBL25317121 0.66 DRD2 (0.40) S1PR1S1PR3KMT2A
SCHEMBL25788205 0.66 THRA (0.49) S1PR1S1PR3LMNATHRATHRB
SCHEMBL25788203 0.66 THRA (0.49) S1PR1S1PR3LMNATHRATHRB
SCHEMBL16726459 0.65 THRA (0.60) THRATHRBHPGDKDM4EPTGES

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 CYP1A2 586/4885CYP3A4 3096/4885CYP2C19 2308/4885
US-20210128501-A1 ANTIBACTERIAL COMPOUNDS ARF1, ARL1, TLR1 CYP1A2 586/4885CYP3A4 3096/4885CYP2C19 2308/4885

“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.