SCHEMBL25477462

SCHEMBL25477462

CCCC(CC)C(=O)NCC(F)COCCOCCOCCOCCOCCOCC(C)=O

nearest known ligand 0.37

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CES2 O00748 1/20 0.35
USP2 O75604 2/20 0.32
TSHR P16473 1/20 0.32
CA1 P00915 2/20 0.31
CA2 P00918 2/20 0.31
HDAC7 Q8WUI4 1/20 0.31
HDAC8 Q9BY41 1/20 0.31
HDAC6 Q9UBN7 1/20 0.31
HDAC9 Q9UKV0 1/20 0.31
HDAC5 Q9UQL6 1/20 0.31
TLR2 O60603 3/20 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
SCHEMBL24764585 0.86 CES2 (0.36) CES2TSHRTLR2
SCHEMBL23945836 0.83 MEN1 (0.35) USP2TSHRCA1CA2HDAC7
SCHEMBL23696575 0.81 MEN1 (0.36) CES2
SCHEMBL22861699 0.81 MEN1 (0.36) CES2
SCHEMBL25476878 0.81 MEN1 (0.35) USP2TSHRTLR2
SCHEMBL23696125 0.80 MEN1 (0.34) TLR2
SCHEMBL23560094 0.80 CES2 (0.36) CES2
SCHEMBL24029654 0.80 CES2 (0.36) CES2
SCHEMBL25654217 0.79 EPHX2 (0.34) TSHRTLR2
SCHEMBL24764555 0.76 TSHR (0.36) TSHRTLR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230295180-A1 PROTEIN DEGRADERS AND USES THEREOF KYMERA THERAPEUTICS, INC. 2023-09-21 US disclosed
US-20230149549-A1 SMARCA DEGRADERS AND USES THEREOF KYMERA THERAPEUTICS, INC. 2023-05-18 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 (2 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-20230295180-A1 PROTEIN DEGRADERS AND USES THEREOF MDM2, CUL1, PSMG3 CES2 3918/4885USP2 106/4885TSHR 3432/4885
US-20230149549-A1 SMARCA DEGRADERS AND USES THEREOF SMARCA1, SMARCB1, SMARCE1 CES2 4138/4885USP2 141/4885TSHR 4066/4885

“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.