SCHEMBL4039170

SCHEMBL4039170

COCCNC(=O)[C@H](C[C@@H](O)[CH]Cc1ccccc1)C(N)=O

nearest known ligand 0.42

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HPGD P15428 2/20 0.41
KDM4E B2RXH2 1/20 0.40
LMNA P02545 1/20 0.40
ALOX15 P16050 1/20 0.38
MAPK1 P28482 2/20 0.38
ALDH1A1 P00352 1/20 0.38
CYP3A4 P08684 1/20 0.38
ACE P12821 1/20 0.38
HTT P42858 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
MMP8 P22894 1/20 0.37

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
SCHEMBL3936972 0.85 REN (0.47) HPGDLMNAALDH1A1MMP8
SCHEMBL4040963 0.85 REN (0.47) HPGDLMNAALDH1A1MMP8
SCHEMBL4043492 0.84 VNN1 (0.39) ACEMMP8
SCHEMBL4044987 0.83 MMP8 (0.51) ALDH1A1MMP8
SCHEMBL4041195 0.81 MMP1 (0.41) ACEMMP8
SCHEMBL4066973 0.81 HPGD (0.35) HPGDKDM4ELMNAMAPK1ALDH1A1
SCHEMBL4039656 0.78 HDAC1 (0.42) LMNAALDH1A1HTT
SCHEMBL4071248 0.76 CYP3A4 (0.50) KDM4ECYP3A4ACEMMP8
SCHEMBL7589895 0.76 LAP3 (0.49) LMNASMN1; SMN2MMP8
SCHEMBL4342649 0.76 SMN1; SMN2 (0.52) HPGDKDM4ELMNAALOX15ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7001911-B2 Fused cyclic modulators of nuclear hormone receptor function BRISTOL-MYERS SQUIBB COMPANY (US) 2006-02-21 US claimed
US-20040077606-A1 Fused cyclic modulators of nuclear hormone receptor function REGENTS OF THE UNIVERSITY OF CALIFORNIA 2004-04-22 US claimed
US-20030114420-A1 Fused cyclic modulators of nuclear hormone receptor function BRISTOL-MYERS SQUIBB COMPANY 2003-06-19 US claimed
EP-1463728-B1 FUSED CYCLIC MODULATORS OF NUCLEAR HORMONE RECEPTOR FUNCTION BRISTOL MYERS SQUIBB CO (US) 2009-01-14 EP disclosed
US-7001911-B2 Fused cyclic modulators of nuclear hormone receptor function BRISTOL-MYERS SQUIBB COMPANY (US) 2006-02-21 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-20030114420-A1 Fused cyclic modulators of nuclear hormone receptor function NCOA1, ESRRA, NR3C1 HPGD 452/4885KDM4E 2439/4885LMNA 3936/4885
US-20040077606-A1 Fused cyclic modulators of nuclear hormone receptor function NCOA1, ESRRA, NR3C1 HPGD 452/4885KDM4E 2439/4885LMNA 3936/4885

“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.