SCHEMBL23187995

SCHEMBL23187995

CC(S)NC(=O)CC1CC1

nearest known ligand 0.47

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ACACB O00763 2/20 0.39
KMT2A Q03164 2/20 0.38
EPHX1 P07099 1/20 0.38
HPGD P15428 1/20 0.38
ANPEP P15144 1/20 0.34
ENPEP Q07075 1/20 0.34
LTA4H P09960 1/20 0.33
GLS O94925 1/20 0.33
EPHX2 P34913 2/20 0.33
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
CTSD P07339 1/20 0.31

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
SCHEMBL25480858 1.00 ACACB (0.39) ACACBKMT2AEPHX1HPGDANPEP
SCHEMBL10199651 0.83 KMT2A (0.45) ACACBKMT2AEPHX1HPGDEPHX2
SCHEMBL23553955 0.79 KMT2A (0.39) ACACBKMT2AEPHX1HPGDLTA4H
SCHEMBL6136421 0.78 SMN1; SMN2 (0.49) ACACBEPHX1LTA4HRAB9A
SCHEMBL4424684 0.78 SMN1; SMN2 (0.49) ACACBEPHX1LTA4HRAB9A
SCHEMBL7882899 0.77 KMT2A (0.53) KMT2AEPHX1HPGDEPHX2NPC1
SCHEMBL23553285 0.76 KMT2A (0.40) ACACBKMT2AEPHX1HPGDEPHX2
SCHEMBL27495741 0.76 ACACB (0.40) ACACBKMT2AEPHX1HPGDGLS
SCHEMBL7437533 0.75 HPGD (0.57) KMT2AEPHX1HPGDLTA4HEPHX2
SCHEMBL4412011 0.75 TSHR (0.45) ACACBKMT2AEPHX1HPGDEPHX2

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-20210101886-A1 IL-17A MODULATORS AND USES THEREOF DICE ALPHA, INC. 2021-04-08 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-20210101886-A1 IL-17A MODULATORS AND USES THEREOF IL17A, IL2, IL36G ACACB 1975/4885KMT2A 4100/4885EPHX1 2501/4885

“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.