SCHEMBL30457766

SCHEMBL30457766

COc1ccc(C2=NOC3CC(NC(=O)OC(C)(C)C)CC23)cc1C(=O)O

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CFTR P13569 3/20 0.38
KDM1A O60341 1/20 0.36
MAOB P27338 1/20 0.36
MIF P14174 3/20 0.35
CACNA1B Q00975 2/20 0.35
CACNB4 O00305 1/20 0.35
CACNA1A O00555 1/20 0.35
CACNA1G O43497 1/20 0.35
CACNG3 O60359 1/20 0.35
CACNA1F O60840 1/20 0.35
CACNA1H O95180 1/20 0.35
CACNB3 P54284 1/20 0.35
CACNA2D1 P54289 1/20 0.35
CACNG7 P62955 1/20 0.35
CACNA1D Q01668 1/20 0.35
CACNB1 Q02641 1/20 0.35
CACNG1 Q06432 1/20 0.35
CACNB2 Q08289 1/20 0.35
CACNA1S Q13698 1/20 0.35
CACNA1C Q13936 1/20 0.35

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
SCHEMBL25230754 1.00 CFTR (0.38) CFTRKDM1AMAOBMIFCACNA1B
SCHEMBL30362037 0.82 MIF (0.37) MIFCACNA1BALDH1A1SYKPDE4B
SCHEMBL26107590 0.82 MIF (0.37) MIFCACNA1BALDH1A1SYKPDE4B
SCHEMBL30457516 0.80 MIF (0.37) MIFCACNA1BALDH1A1SYKPDE4B
SCHEMBL25271699 0.80 MIF (0.37) MIFCACNA1BALDH1A1SYKPDE4B
SCHEMBL25284635 0.79 MIF (0.42) MIFCACNA1BKMT2AALDH1A1SYK
SCHEMBL25226342 0.78 MIF (0.38) MIFCACNA1BALDH1A1SYKPDE4B
SCHEMBL30362028 0.78 MIF (0.38) MIFCACNA1BALDH1A1SYKPDE4B
SCHEMBL25245392 0.77 MIF (0.41) MIFKMT2AALDH1A1PDE4BKDM4E
SCHEMBL25225685 0.77 PDE4B (0.46) CFTRMIFCACNA1BCACNB4CACNA1A

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 CFTR 62/4885KDM1A 1665/4885MAOB 3267/4885

“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.