SCHEMBL3588455

SCHEMBL3588455

C[C@H](NC(=O)CN(C)C)C(=O)OCN1C(=O)CCC(N2C(=O)c3ccccc3C2=O)C1=O

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.36
CYP3A4 P08684 1/20 0.35
CYP2D6 P10635 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35
RAB9A P51151 1/20 0.35
KMT2A Q03164 5/20 0.35
DDB1 Q16531 6/20 0.34
CRBN Q96SW2 6/20 0.34
TDP1 Q9NUW8 2/20 0.34
ALDH1A1 P00352 1/20 0.34
CHRM2 P08172 1/20 0.34
OPRM1 P35372 1/20 0.34
IKZF3 Q9UKT9 1/20 0.34
CYP1A2 P05177 1/20 0.34
TSHR P16473 1/20 0.34
MEN1 O00255 1/20 0.33
MAP1LC3B Q9GZQ8 1/20 0.33

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
SCHEMBL3588459 1.00 L3MBTL1 (0.36) L3MBTL1CYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL3584234 0.91 CYP3A4 (0.36) L3MBTL1CYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL3584232 0.91 CYP3A4 (0.36) L3MBTL1CYP3A4CYP2D6CYP2C9CYP2C19
Hydrochloric Acid SCHEMBL2911986 0.90 CYP3A4 (0.37) L3MBTL1CYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL3594808 0.89 CYP3A4 (0.36) L3MBTL1CYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL3594804 0.89 CYP3A4 (0.36) L3MBTL1CYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL13167689 0.87 GAA (0.39) L3MBTL1CYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL3594340 0.86 NPC1 (0.42) L3MBTL1KMT2ADDB1CRBNTDP1
SCHEMBL3594344 0.86 NPC1 (0.42) L3MBTL1KMT2ADDB1CRBNTDP1
SCHEMBL7473444 0.85 KMT2A (0.39) L3MBTL1CYP3A4CYP2D6CYP2C9CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100240651-A1 WATER-SOLUBLE THALIDOMIDE DERIVATIVES ZHANG HESHENG 2010-09-23 US claimed
US-20100240651-A1 WATER-SOLUBLE THALIDOMIDE DERIVATIVES ZHANG HESHENG 2010-09-23 US disclosed
US-20100240651-A1 WATER-SOLUBLE THALIDOMIDE DERIVATIVES ZHANG HESHENG 2010-09-23 US disclosed
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 L3MBTL1 1405/4885CYP3A4 958/4885CYP2D6 601/4885

“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.