SCHEMBL22457586

SCHEMBL22457586

CCCCN[C@@H](Cc1cccc(OC)c1)NC(=O)OC(C)(C)C

nearest known ligand 0.56

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CTSK P43235 3/20 0.56
CACNA1B Q00975 1/20 0.46
KDM4E B2RXH2 1/20 0.44
MEN1 O00255 1/20 0.44
ALDH1A1 P00352 1/20 0.44
KMT2A Q03164 1/20 0.44
EPHX2 P34913 2/20 0.44
MTNR1A P48039 2/20 0.43
MTNR1B P49286 2/20 0.43
CHRM2 P08172 1/20 0.43
ATM Q13315 1/20 0.42

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
SCHEMBL22457598 0.85 CTSK (0.43) CTSKCACNA1BKDM4EMEN1ALDH1A1
SCHEMBL22457812 0.83 CTSK (0.60) CTSKCACNA1BEPHX2ATM
SCHEMBL30760647 0.83 CTSK (0.60) CTSKCACNA1BEPHX2ATM
SCHEMBL28678349 0.83 CTSK (0.60) CTSKCACNA1BEPHX2ATM
SCHEMBL31407583 0.79 CACNA1B (0.52) CTSKCACNA1BALDH1A1MTNR1AMTNR1B
SCHEMBL3786563 0.79 CTSK (0.64) CTSKCACNA1BKDM4EMEN1ALDH1A1
SCHEMBL3152909 0.78 CACNA1B (0.51) CTSKCACNA1BATM
SCHEMBL22457891 0.78 POLB (0.52) KDM4EMEN1ALDH1A1KMT2AMTNR1A
SCHEMBL22458106 0.78 GRM4 (0.51) KDM4EMEN1KMT2AEPHX2
SCHEMBL3554904 0.78 ACE (0.63) CTSKCACNA1BALDH1A1

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-20220002280-A1 COMPOUNDS AND METHODS OF USE FERRO THERAPEUTICS INC (US) 2022-01-06 US disclosed
US-11040964-B2 Compounds and methods of use Ferro Therapeutics, Inc. (US) 2021-06-22 US disclosed
US-20200299283-A1 COMPOUNDS AND METHODS OF USE BRIDGEBIO PHARMA, INC. 2020-09-24 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 (3 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-20220002280-A1 COMPOUNDS AND METHODS OF USE AIFM2, GPX4, GPX1 CTSK 820/4885CACNA1B 3957/4885KDM4E 2312/4885
US-20200299283-A1 COMPOUNDS AND METHODS OF USE AIFM2, GPX4, GPX1 CTSK 820/4885CACNA1B 3957/4885KDM4E 2312/4885
US-11040964-B2 Compounds and methods of use AIFM2, GPX4, GPX1 CTSK 820/4885CACNA1B 3957/4885KDM4E 2312/4885

“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.