SCHEMBL5307484

SCHEMBL5307484

Cc1ccc(CC(CO)NC(=O)O)cc1C

nearest known ligand 0.53

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PSMB5 P28074 5/20 0.49
PSMB8 P28062 2/20 0.49
CYP3A4 P08684 1/20 0.48
MAPK1 P28482 1/20 0.48
CTSB P07858 1/20 0.44
NR1H4 Q96RI1 1/20 0.43
LMNA P02545 2/20 0.42
MEN1 O00255 1/20 0.42
GAA P10253 1/20 0.42
KMT2A Q03164 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
PTGS2 P35354 1/20 0.40
EGFR P00533 1/20 0.39
ROCK2 O75116 2/20 0.39
ROCK1 Q13464 2/20 0.39
TAS1R3 Q7RTX0 1/20 0.39
TAS1R1 Q7RTX1 1/20 0.39
CNR1 P21554 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
SCHEMBL6308451 0.84 MMP1 (0.42) PSMB5PSMB8CTSBNR1H4LMNA
SCHEMBL18920544 0.83 CYP3A4 (0.42) PSMB5PSMB8CYP3A4MAPK1CTSB
SCHEMBL21144944 0.83 CYP3A4 (0.42) PSMB5PSMB8CYP3A4MAPK1CTSB
SCHEMBL21144797 0.80 MAPK1 (0.50) CYP3A4MAPK1LMNAKMT2AROCK2
SCHEMBL21144798 0.80 MAPK1 (0.50) CYP3A4MAPK1LMNAKMT2AROCK2
SCHEMBL3901670 0.80 MAPK1 (0.50) CYP3A4MAPK1LMNAKMT2AROCK2
SCHEMBL2549561 0.79 TACR1 (0.45) CYP3A4MAPK1LMNAPTGS2EGFR
SCHEMBL6539275 0.78 CNR1 (0.51) CYP3A4MAPK1LMNAROCK2ROCK1
SCHEMBL6190633 0.78 CNR1 (0.51) CYP3A4MAPK1LMNAROCK2ROCK1
SCHEMBL3897966 0.78 MAPK1 (0.68) CYP3A4MAPK1MEN1KMT2APTGS2

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
WO-2007047575-A2 PHARMACOLOGICAL TREATMENTS FOR SLEEP-RELATED BREATHING DISORDERS THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS (US) 2007-04-26 WO disclosed
US-6872748-B2 Simplified resiniferatoxin analogues as vanilloid receptor agonist showing excellent analgesic activity and the pharmaceutical compositions containing the same DIGITAL BIOTECH CO., LTD. (KR) 2005-03-29 US disclosed
US-20040063786-A1 Simplified resiniferatoxin analogues as vanilloid receptor agonist showing excellent analgesic activity and the pharmaceutical compositions containing the same MEDIFRON DBT CO., LTD. (KR) 2004-04-01 US disclosed
WO-2003027064-A1 SIMPLIFIED RESINIFERATOXIN ANALOGUES AS VANILLOID RECEPTOR AGONIST SHOWING EXCELLENT ANALGESIC ACTIVITY AND THE PHARMACEUTICAL CO MPOSITIONS CONTAINING THE SAME DIGITAL BIOTECH CO. LTD,. (KR) 2003-04-03 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-20040063786-A1 Simplified resiniferatoxin analogues as vanilloid receptor agonist showing excellent analgesic activity and the pharmaceutical compositions containing the same TRPV1, OPRL1, GPR180 PSMB5 1000/4885PSMB8 1451/4885CYP3A4 1872/4885

“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.