SCHEMBL25099313

SCHEMBL25099313

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

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 2/20 0.34
CA2 P00918 2/20 0.34
CA7 P43166 2/20 0.34
SMN1; SMN2 Q16637 2/20 0.33
HPGD P15428 3/20 0.33
ALDH1A1 P00352 1/20 0.33
HTT P42858 1/20 0.33
RAB9A P51151 1/20 0.33
POLB P06746 1/20 0.32
CA12 O43570 1/20 0.32
CA3 P07451 1/20 0.32
CA4 P22748 1/20 0.32
CA6 P23280 1/20 0.32
CA5A P35218 1/20 0.32
CACNA1C Q13936 1/20 0.32
SCN9A Q15858 1/20 0.32
CA9 Q16790 1/20 0.32
CA13 Q8N1Q1 1/20 0.32
CA14 Q9ULX7 1/20 0.32
CA5B Q9Y2D0 1/20 0.32

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
SCHEMBL26658139 0.84 TAS1R3 (0.35) CA1CA2CA7SMN1; SMN2HPGD
SCHEMBL25099143 0.84 TAS1R3 (0.35) CA1CA2CA7SMN1; SMN2HPGD
SCHEMBL24368981 0.84 TSHR (0.35) CA1CA2CA7KMT2AACACB
SCHEMBL24368985 0.84 TSHR (0.35) CA1CA2CA7KMT2AACACB
SCHEMBL23051968 0.81 CA1 (0.39) CA1CA2CA7HPGDALDH1A1
SCHEMBL16176081 0.81 CA1 (0.35) CA1CA2CA7SMN1; SMN2HPGD
SCHEMBL903675 0.81 CA1 (0.43) CA1CA2CA7SMN1; SMN2HPGD
SCHEMBL24369244 0.81 CA1 (0.39) CA1CA2CA7HPGDALDH1A1
SCHEMBL24369045 0.81 CA1 (0.39) CA1CA2CA7HPGDALDH1A1
SCHEMBL12332518 0.78 SMN1; SMN2 (0.35) CA1CA2CA7SMN1; SMN2HPGD

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
WO-2023205475-A1 CTPS1 INHIBITORS AND USES THEREOF NIMBUS CLOTHO, INC. (US) 2023-10-26 WO disclosed
US-20230077316-A1 CTPS1 INHIBITORS AND USES THEREOF NIMBUS DISCOVERY, INC. 2023-03-09 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-20230077316-A1 CTPS1 INHIBITORS AND USES THEREOF CTPS1, CTPS2, ECHS1 CA1 4802/4885CA2 4305/4885CA7 4018/4885

“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.