SCHEMBL29698709

SCHEMBL29698709

CC(C)(C)[S@@+]([O-])N[C@@H](c1ccc(Br)cn1)C(F)(F)F

nearest known ligand 0.41

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
S1PR4 O95977 1/20 0.30
S1PR3 Q99500 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
SCHEMBL18425740 1.00 S1PR4 (0.30) S1PR4S1PR3
SCHEMBL25374979 1.00 S1PR4 (0.30) S1PR4S1PR3
SCHEMBL30204984 1.00 S1PR4 (0.30) S1PR4S1PR3
SCHEMBL25374985 1.00 S1PR4 (0.30) S1PR4S1PR3
SCHEMBL29504040 0.83 CTSD (0.33) S1PR3
SCHEMBL22713231 0.83 CTSD (0.33) S1PR3
SCHEMBL22713228 0.83 CTSD (0.33) S1PR3
SCHEMBL22713232 0.83 CTSD (0.33) S1PR3
SCHEMBL22159231 0.81 B3GNT2 (0.36) S1PR4S1PR3
SCHEMBL2394129 0.81 B3GNT2 (0.36) S1PR4S1PR3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20260109698-A1 MALT-1 MODULATORS EXSCIENTIA AI LIMITED (GB) 2026-04-23 US disclosed
WO-2025059027-A1 CYCLOPENTA[E]PYRAZOLO[1,5-A]PYRIMIDINE DERIVATIVES AS MALT1 INHIBITORS SCHRÖDINGER, INC. (US) 2025-03-20 WO disclosed
US-20250051327-A1 MALT-1 MODULATORS RECURSION PHARMACEUTICALS, INC. 2025-02-13 US disclosed
EP-4247492-A1 MALT-1 MODULATORS Exscientia Al Limited (GB) 2023-09-27 EP disclosed
WO-2022106857-A1 MALT-1 MODULATORS Exscientia Limited (GB) 2022-05-27 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 (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-20250051327-A1 MALT-1 MODULATORS MALT1, BCL6, BCL9 S1PR4 3279/4885S1PR3 3320/4885
US-20260109698-A1 MALT-1 MODULATORS MALT1, BCL6, BCL3 S1PR4 2748/4885S1PR3 2105/4885

“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.