SCHEMBL25281119

SCHEMBL25281119

CC(C)(C)OC(=O)C(Br)c1ccc(F)c(Br)c1

nearest known ligand 0.45

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
APP P05067 1/20 0.45
AAK1 Q2M2I8 4/20 0.37
LMNA P02545 2/20 0.33
PARP1 P09874 2/20 0.33
TSHR P16473 2/20 0.33
NPSR1 Q6W5P4 1/20 0.33
IDO1 P14902 1/20 0.33
KDM4E B2RXH2 2/20 0.33
USP30 Q70CQ3 1/20 0.33
KMT2A Q03164 1/20 0.33
AKT1 P31749 1/20 0.32
S1PR3 Q99500 1/20 0.31
ALDH1A1 P00352 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
SCHEMBL18890086 0.83 LMNA (0.41) LMNAPARP1TSHRNPSR1IDO1
SCHEMBL27901063 0.80 APP (0.41) APPAAK1LMNAPARP1TSHR
SCHEMBL25279555 0.80 S1PR3 (0.45) APPAAK1IDO1S1PR3
SCHEMBL27395438 0.80 APP (0.41) APPAAK1LMNAKMT2AALDH1A1
SCHEMBL26508769 0.76 IDO1 (0.40) APPLMNAPARP1TSHRIDO1
SCHEMBL11378154 0.75 ACHE (0.46) LMNATSHRNPSR1KDM4EKMT2A
SCHEMBL17634288 0.74 GSK3B (0.45) APP
SCHEMBL20166011 0.73 LMNA (0.36) APPLMNATSHRKDM4EKMT2A
SCHEMBL355454 0.73 CES2 (0.53) AAK1LMNATSHRNPSR1KMT2A
SCHEMBL3745868 0.72 SLC7A5 (0.44) APPAAK1LMNATSHRNPSR1

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
US-20250066344-A1 BENZOTHIAZOLE, BENZOISOXAZOLE, AND BENZODIOXOLE ANALOGS AS RXFP1 RECEPTOR AGONISTS BRISTOL MYERS SQUIBB CO (US) 2025-02-27 US disclosed
EP-4448500-A1 BENZOTHIAZOLE, BENZOISOXAZOLE AND BENZODIOXOLE ANALOGS AS RXFP1 RECEPTOR AGONISTS Bristol-Myers Squibb Company (US) 2024-10-23 EP disclosed
WO-2023114822-A1 BENZOTHIAZOLE, BENZOISOXAZOLE AND BENZODIOXOLE ANALOGS AS RXFP1 RECEPTOR AGONISTS BRISTOL-MYERS SQUIBB COMPANY (US) 2023-06-22 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-20250066344-A1 BENZOTHIAZOLE, BENZOISOXAZOLE, AND BENZODIOXOLE ANALOGS AS RXFP1 RECEPTOR AGONISTS RXFP1, RXFP2, RXFP3 APP 4755/4885AAK1 837/4885LMNA 4042/4885

“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.