SCHEMBL25839110

SCHEMBL25839110

C[C@@H](N[S@@+]([O-])C(C)(C)C)c1cc(NC(=O)OC(C)(C)C)cc(C(F)F)n1

nearest known ligand 0.35

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 1/20 0.35
AAK1 Q2M2I8 3/20 0.33
CYP17A1 P05093 2/20 0.32
MAPKAPK2 P49137 2/20 0.32
TOP2A P11388 1/20 0.32
TOP2B Q02880 1/20 0.32
SYK P43405 1/20 0.32
MAPK14 Q16539 1/20 0.32
MAP4K4 O95819 1/20 0.31
CA12 O43570 1/20 0.31
CA1 P00915 1/20 0.31
CA9 Q16790 1/20 0.31
PSMB8 P28062 1/20 0.31
NAMPT P43490 1/20 0.31
SREBF2 Q12772 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
SCHEMBL30493119 1.00 BACE1 (0.35) BACE1AAK1CYP17A1MAPKAPK2TOP2A
SCHEMBL31745657 1.00 BACE1 (0.35) BACE1AAK1CYP17A1MAPKAPK2TOP2A
SCHEMBL23526348 0.86
SCHEMBL23526346 0.86
SCHEMBL23526342 0.86
SCHEMBL24355513 0.82 GSK3B (0.32) MAPKAPK2PSMB8
SCHEMBL29597544 0.82 GSK3B (0.32) MAPKAPK2PSMB8
SCHEMBL29849598 0.80 BACE1 (0.33) BACE1CYP17A1SYKCA12CA1
SCHEMBL30493099 0.78 ELANE (0.35) BACE1AAK1CYP17A1
SCHEMBL28880423 0.77 BACE1 (0.31) BACE1

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-11702418-B2 SOS1 inhibitors Mirati Therapeutics, Inc. (US) 2023-07-18 US disclosed
US-20230137886-A1 SOS1 INHIBITORS Mirati Therapeutics, Inc. 2023-05-04 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-20230137886-A1 SOS1 INHIBITORS SOS1, SOS2, SAV1 BACE1 401/4885AAK1 1385/4885CYP17A1 2322/4885
US-11702418-B2 SOS1 inhibitors SOS1, SOS2, SOST BACE1 331/4885AAK1 1653/4885CYP17A1 1950/4885

“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.