SCHEMBL24368985

SCHEMBL24368985

CCOC[C@H](NC(=O)C(C)C)C(C)C

nearest known ligand 0.35

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.35
ACACB O00763 2/20 0.33
CNR2 P34972 1/20 0.33
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
CA7 P43166 1/20 0.33
REN P00797 3/20 0.32
TAS1R3 Q7RTX0 2/20 0.31
TAS1R1 Q7RTX1 2/20 0.31
KMT2A Q03164 1/20 0.30
ACACA Q13085 1/20 0.30

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
SCHEMBL24368981 1.00 TSHR (0.35) TSHRACACBCNR2CA1CA2
SCHEMBL25099313 0.84 CA1 (0.34) ACACBCNR2CA1CA2CA7
SCHEMBL24369855 0.82 CA1 (0.37) TSHRACACBCA1CA2CA7
SCHEMBL23924825 0.82 TSHR (0.36) TSHRCA1CA2CA7REN
SCHEMBL24369856 0.82 CA1 (0.37) TSHRACACBCA1CA2CA7
SCHEMBL23924823 0.82 TSHR (0.36) TSHRCA1CA2CA7REN
SCHEMBL25098434 0.81 CYP2C9 (0.39) TSHRACACBCA1CA2CA7
SCHEMBL25098432 0.80 ACACB (0.41) TSHRACACBCNR2ACACA
SCHEMBL24444347 0.77 TAS1R3 (0.38) TSHRCNR2CA1CA2CA7
SCHEMBL23479934 0.77 TAS1R3 (0.38) TSHRCNR2CA1CA2CA7

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-20230077316-A1 CTPS1 INHIBITORS AND USES THEREOF NIMBUS DISCOVERY, INC. 2023-03-09 US disclosed
WO-2022087634-A1 CTPS1 INHIBITORS AND USES THEREOF NIMBUS CLOTHO, INC. (US) 2022-04-28 WO 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-20230077316-A1 CTPS1 INHIBITORS AND USES THEREOF CTPS1, CTPS2, ECHS1 TSHR 4119/4885ACACB 53/4885CNR2 1945/4885

“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.