SCHEMBL3601473

SCHEMBL3601473

O=C(CBr)NC(Cc1ccccc1)C(=O)OCN1C(=O)CCC(N2C(=O)c3ccccc3C2=O)C1=O

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.38
CAPN1 P07384 1/20 0.37
GAA P10253 1/20 0.37
DDB1 Q16531 1/20 0.36
CRBN Q96SW2 1/20 0.36
MAP1LC3B Q9GZQ8 1/20 0.36
TACR1 P25103 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2D6 P10635 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
RAB9A P51151 1/20 0.36
ITGB1 P05556 2/20 0.36
ITGA4 P13612 2/20 0.36
MMP2 P08253 2/20 0.36
ALDH1A1 P00352 1/20 0.36
MBTPS1 Q14703 1/20 0.36
POLB P06746 1/20 0.36
ACE P12821 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
SCHEMBL13167688 0.89 TP53 (0.39) TP53CAPN1GAATACR1CYP3A4
SCHEMBL13167689 0.89 GAA (0.39) TP53CAPN1GAADDB1CRBN
SCHEMBL13167690 0.89 PSMB8 (0.42) TP53CAPN1GAAMAP1LC3BITGB1
SCHEMBL3590346 0.89 PSMB8 (0.42) TP53CAPN1GAAMAP1LC3BITGB1
SCHEMBL3594808 0.85 CYP3A4 (0.36) DDB1CRBNMAP1LC3BCYP3A4CYP2D6
SCHEMBL3594804 0.85 CYP3A4 (0.36) DDB1CRBNMAP1LC3BCYP3A4CYP2D6
SCHEMBL2919213 0.84 CYP3A4 (0.39) DDB1CRBNMAP1LC3BCYP3A4CYP2D6
SCHEMBL2915694 0.84 CYP3A4 (0.39) DDB1CRBNMAP1LC3BCYP3A4CYP2D6
SCHEMBL2918755 0.80 ALDH1A1 (0.41) DDB1CRBNMAP1LC3BCYP3A4CYP2C19
SCHEMBL3583758 0.79 CYP3A4 (0.42) DDB1CRBNMAP1LC3BCYP3A4CYP2C19

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-20100240651-A1 WATER-SOLUBLE THALIDOMIDE DERIVATIVES ZHANG HESHENG 2010-09-23 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-20100240651-A1 WATER-SOLUBLE THALIDOMIDE DERIVATIVES CCNH, CBR1, CBR3 TP53 759/4885CAPN1 2847/4885GAA 4776/4885

“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.