SCHEMBL22457598

SCHEMBL22457598

CCCCN[C@@H](Cc1cccc(OC)c1)NC(=O)C12CC(NC(=O)OC(C)(C)C)(C1)C2

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CTSK P43235 2/20 0.43
CACNA1B Q00975 1/20 0.39
EPHX2 P34913 2/20 0.37
LPAR3 Q9UBY5 1/20 0.36
MTNR1A P48039 2/20 0.36
MTNR1B P49286 2/20 0.36
KDM4E B2RXH2 1/20 0.35
MEN1 O00255 1/20 0.35
ALDH1A1 P00352 1/20 0.35
KMT2A Q03164 1/20 0.35
MMP1 P03956 1/20 0.35
MMP9 P14780 1/20 0.35
MMP13 P45452 1/20 0.35
ADAM17 P78536 1/20 0.35
POLB P06746 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
SCHEMBL29365641 0.86 CTSK (0.48) CTSKCACNA1BEPHX2LPAR3
SCHEMBL31382758 0.86 CTSK (0.48) CTSKCACNA1BEPHX2LPAR3
SCHEMBL22457586 0.85 CTSK (0.56) CTSKCACNA1BEPHX2MTNR1AMTNR1B
SCHEMBL22457599 0.83 ROCK2 (0.42) LPAR3MEN1KMT2A
SCHEMBL22441350 0.74 CTSK (0.43) CTSKEPHX2LPAR3MTNR1AMTNR1B
SCHEMBL22441353 0.74 CTSK (0.43) CTSKEPHX2LPAR3MTNR1AMTNR1B
SCHEMBL28678349 0.72 CTSK (0.60) CTSKCACNA1BEPHX2LPAR3
SCHEMBL30760647 0.72 CTSK (0.60) CTSKCACNA1BEPHX2LPAR3
SCHEMBL22457812 0.72 CTSK (0.60) CTSKCACNA1BEPHX2LPAR3
SCHEMBL22457891 0.72 POLB (0.52) MTNR1AMTNR1BKDM4EMEN1ALDH1A1

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 3957/4885EPHX2 1687/4885
US-20200299283-A1 COMPOUNDS AND METHODS OF USE AIFM2, GPX4, GPX1 CTSK 820/4885CACNA1B 3957/4885EPHX2 1687/4885
US-11040964-B2 Compounds and methods of use AIFM2, GPX4, GPX1 CTSK 820/4885CACNA1B 3957/4885EPHX2 1687/4885

“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.