SCHEMBL6740453

SCHEMBL6740453

COC(=O)[C@@H](C)N(C)C(=O)C(C)c1ccc(OCc2cc(C)cc(C)c2)cc1

nearest known ligand 0.52

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PARP10 Q53GL7 1/20 0.48
HDAC8 Q9BY41 2/20 0.45
FAAH O00519 1/20 0.41
NPY5R Q15761 1/20 0.40
MMP1 P03956 1/20 0.40
MMP2 P08253 1/20 0.40
MMP9 P14780 1/20 0.40
ALDH1A1 P00352 2/20 0.39
MAPT P10636 2/20 0.39
NPC1 O15118 1/20 0.39
PKM P14618 1/20 0.39
RAB9A P51151 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
KMT2A Q03164 1/20 0.39
MAPK1 P28482 1/20 0.39
RXRA P19793 1/20 0.39
RXRB P28702 1/20 0.39
LTA4H P09960 1/20 0.39
FFAR1 O14842 1/20 0.39

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
SCHEMBL6740456 1.00 PARP10 (0.48) PARP10HDAC8FAAHNPY5RMMP1
SCHEMBL6740459 1.00 PARP10 (0.48) PARP10HDAC8FAAHNPY5RMMP1
SCHEMBL6737247 0.89 PARP10 (0.49) PARP10HDAC8NPY5RALDH1A1MAPT
SCHEMBL6737249 0.89 PARP10 (0.49) PARP10HDAC8NPY5RALDH1A1MAPT
SCHEMBL6737245 0.89 PARP10 (0.49) PARP10HDAC8NPY5RALDH1A1MAPT
SCHEMBL6736535 0.89 PARP10 (0.49) PARP10HDAC8NPY5RMMP1MMP2
SCHEMBL6736537 0.89 PARP10 (0.49) PARP10HDAC8NPY5RMMP1MMP2
SCHEMBL6736540 0.89 PARP10 (0.49) PARP10HDAC8NPY5RMMP1MMP2
SCHEMBL6740442 0.86 ALOX5 (0.53) NPY5RNPC1RAB9ASMN1; SMN2LTA4H
SCHEMBL6740438 0.86 ALOX5 (0.53) NPY5RNPC1RAB9ASMN1; SMN2LTA4H

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 3 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

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 PARP10 2228/4885HDAC8 194/4885FAAH 167/4885

“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.