SCHEMBL25169752

SCHEMBL25169752

CC1(C)OB(c2cnc(N3CC[C@@H](C(=O)O)C3)nc2)OC1(C)C

nearest known ligand 0.45

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.45
CYP2C19 P33261 1/20 0.45
NOTUM Q6P988 16/20 0.42
HSD17B10 Q99714 2/20 0.41
MEN1 O00255 1/20 0.41
ALDH1A1 P00352 1/20 0.41
KMT2A Q03164 1/20 0.41
USP2 O75604 1/20 0.39
HPGD P15428 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
USP30 Q70CQ3 1/20 0.39

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
SCHEMBL25172509 1.00 KDM4E (0.45) KDM4ECYP2C19NOTUMHSD17B10MEN1
SCHEMBL31217266 0.93 KDM4E (0.51) KDM4ECYP2C19HSD17B10MEN1ALDH1A1
SCHEMBL18450235 0.87 KDM4E (0.44) KDM4EMEN1ALDH1A1KMT2AHPGD
SCHEMBL25447223 0.87 KDM4E (0.44) KDM4EMEN1ALDH1A1KMT2AHPGD
SCHEMBL30313340 0.84 USP30 (0.48) KDM4ECYP2C19USP30
SCHEMBL18128248 0.83 USP30 (0.37) KDM4ECYP2C19USP30
SCHEMBL18128247 0.83 USP30 (0.37) KDM4ECYP2C19USP30
SCHEMBL18128251 0.83 USP30 (0.37) KDM4ECYP2C19USP30
SCHEMBL25416132 0.82 FFAR4 (0.40) USP30
SCHEMBL2183987 0.82 USP30 (0.48) USP30

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230145336-A1 BRAF DEGRADERS C4 THERAPEUTICS, INC. (US) 2023-05-11 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 (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-20230145336-A1 BRAF DEGRADERS BRAF, NRAS, RAF1 KDM4E 332/4885CYP2C19 2658/4885NOTUM 4017/4885

“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.