SCHEMBL25949529

SCHEMBL25949529

C[C@]1(O)C2CCC1C[C@@H](S(=O)(=O)c1cc(C(=O)Nc3ccc(Cl)c(F)c3)ccc1Cl)C2

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 2/20 0.47
MAPT P10636 9/20 0.45
TP53 P04637 7/20 0.45
NPC1 O15118 1/20 0.45
RAB9A P51151 1/20 0.45
KCNQ3 O43525 2/20 0.44
KCNQ2 O43526 2/20 0.44
KCNE1 P15382 2/20 0.44
KCNQ1 P51787 2/20 0.44
LMNA P02545 5/20 0.43
TSHR P16473 2/20 0.43
SMN1; SMN2 Q16637 3/20 0.43
HTT P42858 2/20 0.43
MEN1 O00255 2/20 0.43
ALDH1A1 P00352 2/20 0.43
KMT2A Q03164 2/20 0.43
MAPK1 P28482 1/20 0.43
POLB P06746 1/20 0.42
CA1 P00915 1/20 0.42
CA2 P00918 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
SCHEMBL23127282 1.00 MAOB (0.47) MAOBMAPTTP53NPC1RAB9A
SCHEMBL23127280 1.00 MAOB (0.47) MAOBMAPTTP53NPC1RAB9A
SCHEMBL19324899 0.95 LMNA (0.49) MAOBMAPTTP53NPC1RAB9A
SCHEMBL19319530 0.95 LMNA (0.49) MAOBMAPTTP53NPC1RAB9A
SCHEMBL19351642 0.95 LMNA (0.49) MAOBMAPTTP53NPC1RAB9A
SCHEMBL20779501 0.95 MAOB (0.47) MAOBMAPTTP53NPC1RAB9A
SCHEMBL23127122 0.94 MAPT (0.52) MAPTTP53NPC1RAB9AKCNQ3
SCHEMBL23127120 0.94 MAPT (0.52) MAPTTP53NPC1RAB9AKCNQ3
SCHEMBL25945989 0.94 MAPT (0.52) MAPTTP53NPC1RAB9AKCNQ3
SCHEMBL25949518 0.94 MAPT (0.52) MAPTTP53NPC1RAB9AKCNQ3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230241012-A1 HEPATITIS B ANTIVIRAL AGENTS ENANTA PHARM INC (US) 2023-08-03 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 (1 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-20230241012-A1 HEPATITIS B ANTIVIRAL AGENTS HAVCR2, PYGL, SLC10A1 MAOB 675/4885MAPT 4660/4885TP53 1959/4885

“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.