SCHEMBL30972783

SCHEMBL30972783

CCOC(=O)C[C@H](N[S@+]([O-])C(C)(C)C)c1cc(Br)cc(C(F)F)c1F

nearest known ligand 0.35

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 1/20 0.35
GPR35 Q9HC97 1/20 0.32
POLB P06746 1/20 0.31
THRB P10828 1/20 0.31
NPSR1 Q6W5P4 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
SCHEMBL30973010 1.00 BACE1 (0.35) BACE1GPR35POLBTHRBNPSR1
SCHEMBL29725911 0.91 BACE1 (0.34) BACE1GPR35POLBTHRBNPSR1
SCHEMBL29725964 0.91 BACE1 (0.34) BACE1GPR35POLBTHRBNPSR1
SCHEMBL25819422 0.91 BACE1 (0.34) BACE1GPR35POLBTHRBNPSR1
SCHEMBL28957391 0.91 BACE1 (0.34) BACE1GPR35POLBTHRBNPSR1
SCHEMBL23259944 0.91 BACE1 (0.34) BACE1GPR35POLBTHRBNPSR1
SCHEMBL29725940 0.89 GPR35 (0.36) BACE1GPR35POLBTHRB
SCHEMBL28871842 0.89 GPR35 (0.36) BACE1GPR35POLBTHRB
SCHEMBL24555571 0.89 GPR35 (0.36) BACE1GPR35POLBTHRB
SCHEMBL23256376 0.88 BACE1 (0.35) BACE1GPR35POLBTHRBNPSR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4638438-A1 ALPHA4 BETA7 INTEGRIN ANTAGONISTS AND USES THEREOF Xinthera, Inc. (US) 2025-10-29 EP disclosed
US-20240279214-A1 ALPHA4 BETA7 INEGRIN ANTAGONISTS AND USES THEREOF XINTHERA, INC. 2024-08-22 US disclosed
WO-2024138042-A1 ALPHA4 BETA7 INTEGRIN ANTAGONISTS AND USES THEREOF XINTHERA, INC. (US) 2024-06-27 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 (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-20240279214-A1 ALPHA4 BETA7 INEGRIN ANTAGONISTS AND USES THEREOF ITGB7, ITGB4, ITGA4 BACE1 437/4885GPR35 670/4885POLB 3092/4885

“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.