SCHEMBL7046899

SCHEMBL7046899

CC(CCNC(=O)OCc1ccccc1)CC(=O)NCCC(C(=O)C1=NC(C)(C)CO1)c1ccccc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 12/20 0.39
TSHR P16473 9/20 0.39
SLC1A3 P43003 1/20 0.38
SLC1A1 P43005 1/20 0.38
LMNA P02545 5/20 0.37
SMN1; SMN2 Q16637 3/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
CYP2C9 P11712 9/20 0.36
CYP2C19 P33261 8/20 0.36
ALDH1A1 P00352 7/20 0.36
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
CYP1A2 P05177 5/20 0.36
CYP2D6 P10635 5/20 0.36
PSMB11 A5LHX3 1/20 0.36
PSMD11 O00231 1/20 0.36
PSMD12 O00232 1/20 0.36
PSMD14 O00487 1/20 0.36
PSMA7 O14818 1/20 0.36
PSMD3 O43242 1/20 0.36

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
SCHEMBL6466402 0.88 HPGD (0.34) CYP3A4LMNASMN1; SMN2CYP2C9CYP2C19
SCHEMBL7046317 0.85 SLC1A3 (0.39) CYP3A4TSHRSLC1A3SLC1A1LMNA
SCHEMBL6061799 0.82 CYP3A4 (0.38) CYP3A4TSHRSLC1A3SLC1A1LMNA
SCHEMBL6465943 0.79 ANPEP (0.44) CYP3A4SLC1A3SLC1A1LMNASMN1; SMN2
SCHEMBL7046968 0.78 ELANE (0.44) SLC1A3SLC1A1LMNASMN1; SMN2L3MBTL1
SCHEMBL7044864 0.77 SLC1A3 (0.41) CYP3A4TSHRSLC1A3SLC1A1LMNA
SCHEMBL6062401 0.77 L3MBTL1 (0.40) CYP3A4TSHRSLC1A3SLC1A1LMNA
SCHEMBL6063445 0.77 PTGER4 (0.47) TSHRSLC1A3SLC1A1LMNASMN1; SMN2
SCHEMBL7046917 0.77 HDAC1 (0.40) SLC1A3SLC1A1LMNASMN1; SMN2L3MBTL1
SCHEMBL7046555 0.76 SLC1A3 (0.36) SLC1A3SLC1A1LMNASMN1; SMN2L3MBTL1

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-20030232864-A1 Novel Compounds and compositions as protease inhibitors AXYS PHARMACEUTICALS, INC. (US) 2003-12-18 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 (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-20030232864-A1 Novel Compounds and compositions as protease inhibitors SERPINB1, CTRL, CTSZ CYP3A4 1183/4885TSHR 4811/4885SLC1A3 4389/4885

“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.