SCHEMBL23328884

SCHEMBL23328884

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

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 1/20 0.42
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 0.41
S1PR1 P21453 1/20 0.41
S1PR3 Q99500 1/20 0.41
CA1 P00915 2/20 0.39
CA2 P00918 2/20 0.39
CA7 P43166 2/20 0.39
CA9 Q16790 2/20 0.39
FPR2 P25090 1/20 0.39
EPHX2 P34913 3/20 0.38
THRA P10827 1/20 0.37
THRB P10828 1/20 0.37
IDH2 P48735 1/20 0.37
HPGD P15428 1/20 0.37
LMNA P02545 2/20 0.36
RAB9A P51151 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
SCHEMBL23328885 0.87 CYP1A2 (0.42) HRH3CYP1A2CYP3A4CYP2C19CYP2D6
SCHEMBL23329073 0.76 CA2 (0.53) HRH3CA1CA2CA7CA9
SCHEMBL17224684 0.69 CYP1A2 (0.56) CYP1A2CYP2C19CYP2C9EPHX2HPGD
SCHEMBL8716061 0.67 CA1 (0.49) S1PR3CA1CA2CA7CA9
SCHEMBL23328365 0.66 FPR2 (0.67) CA1CA2CA7CA9FPR2
SCHEMBL23328364 0.66 ACP1 (0.63) CA1CA2CA9FPR2LMNA
SCHEMBL25919978 0.66 DRD2 (0.40) S1PR1S1PR3RAB9AKMT2A
SCHEMBL25317121 0.66 DRD2 (0.40) S1PR1S1PR3RAB9AKMT2A
SCHEMBL25788203 0.66 THRA (0.49) S1PR1S1PR3THRATHRBLMNA
SCHEMBL25788205 0.66 THRA (0.49) S1PR1S1PR3THRATHRBLMNA

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 HRH3 634/4885CYP1A2 586/4885CYP3A4 3096/4885
US-20210128501-A1 ANTIBACTERIAL COMPOUNDS ARF1, ARL1, TLR1 HRH3 634/4885CYP1A2 586/4885CYP3A4 3096/4885

“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.