SCHEMBL6741666

SCHEMBL6741666

CC[C@@H](C(=O)N[C@@H](C)C(=O)NOCc1ccccc1)c1ccccc1

nearest known ligand 0.51

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.51
KDM4A O75164 1/20 0.49
CRHBP P24387 2/20 0.47
CRHR2 Q13324 2/20 0.47
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
GAA P10253 1/20 0.45
ALDH1A1 P00352 1/20 0.45
NPC1 O15118 2/20 0.44
RAB9A P51151 2/20 0.44
GPR88 Q9GZN0 2/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
KCNQ2 O43526 2/20 0.44
LMNA P02545 1/20 0.44
HTT P42858 1/20 0.44
MAPT P10636 1/20 0.43
ACE P12821 1/20 0.43

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
SCHEMBL6744969 1.00 POLB (0.51) POLBKDM4ACRHBPCRHR2MEN1
SCHEMBL6744964 1.00 POLB (0.51) POLBKDM4ACRHBPCRHR2MEN1
SCHEMBL29245670 0.81 NPC1 (0.51) NPC1RAB9ASMN1; SMN2LMNA
SCHEMBL6741448 0.79 CRHBP (0.55) POLBKDM4ACRHBPCRHR2MEN1
SCHEMBL6744385 0.79 CRHBP (0.55) POLBKDM4ACRHBPCRHR2MEN1
SCHEMBL6744388 0.79 CRHBP (0.55) POLBKDM4ACRHBPCRHR2MEN1
SCHEMBL7376903 0.79 CRHBP (0.55) POLBKDM4ACRHBPCRHR2MEN1
SCHEMBL6842587 0.75 CTSS (0.53) KMT2AACE
SCHEMBL7984152 0.75 CTSS (0.53) KMT2AACE
SCHEMBL6842589 0.75 CTSS (0.53) KMT2AACE

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-6689771-B2 TREATMENT OF RHEUMATOID ARTHRITIS, OSTEOARTHRITIS, PERIODONTITIS, GINGIVITIS, CORNEAL ULCERATION, SOLID TUMOR GROWTH BRISTOL-MYERS SQUIBB PHARMA COMPANY 2004-02-10 US disclosed
US-20030032803-A1 Novel amide derivatives as inhibitors of matrix metalloproteinases, TNF-alpha, and aggrecanase DUAN JINGWU (US) 2003-02-13 US disclosed
US-6376665-B1 ANTIARTHRITIC AGENTS, ANTIINFLAMMATORY AGENTS BRISTOL-MYERS SQUIBB PHARMA COMPANY 2002-04-23 US disclosed
EP-1165500-A1 AMIDE DERIVATIVES AS INHIBITORS OF MATRIX METALLOPROTEINASES,TNF-ALPHA,AND AGGRECANASE Du Pont Pharmaceuticals Company (US) 2002-01-02 EP disclosed
WO-2000059874-A1 NOVEL AMIDE DERIVATIVES AS INHIBITORS OF MATRIX METALLOPROTEINASES, TNF-α, AND AGGRECANASE DU PONT PHARMACEUTICALS COMPANY (US) 2000-10-12 WO 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-20030032803-A1 Novel amide derivatives as inhibitors of matrix metalloproteinases, TNF-alpha, and aggrecanase TNF, MMP1, ADAMTS1 POLB 2456/4885KDM4A 2269/4885CRHBP 2220/4885

“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.