SCHEMBL7411780

SCHEMBL7411780

O=C(CBr)N[C@H](CO)Cc1ccccc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 2/20 0.60
CYP3A4 P08684 1/20 0.60
MME P08473 3/20 0.54
ROCK2 O75116 3/20 0.51
ROCK1 Q13464 3/20 0.51
RPS6KA5 O75582 1/20 0.51
RPS6KA4 O75676 1/20 0.51
PRKACA P17612 1/20 0.51
GSK3A P49840 1/20 0.51
GSK3B P49841 1/20 0.51
IRAK1 P51617 1/20 0.51
PRKX P51817 1/20 0.51
PRKG1 Q13976 1/20 0.51
PKN2 Q16513 1/20 0.51
CLK4 Q9HAZ1 1/20 0.51
SGK2 Q9HBY8 1/20 0.51
PARP1 P09874 1/20 0.49
PARP3 Q9Y6F1 1/20 0.49
NPC1 O15118 1/20 0.49
RAB9A P51151 1/20 0.49

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
SCHEMBL7607678 1.00 MAPK1 (0.60) MAPK1CYP3A4MMEROCK2ROCK1
SCHEMBL4344248 0.88 MAPK1 (0.66) MAPK1CYP3A4MMEROCK2ROCK1
SCHEMBL9068996 0.85 MME (0.73) MAPK1CYP3A4MMEROCK2ROCK1
SCHEMBL181277 0.84 MME (0.51) MAPK1CYP3A4MMENPC1RAB9A
SCHEMBL26696606 0.84 ROCK2 (0.53) MAPK1CYP3A4MMEROCK2ROCK1
SCHEMBL25159733 0.83 MAPK1 (0.60) MAPK1CYP3A4MMEROCK2ROCK1
SCHEMBL16983215 0.83 MAPK1 (0.60) MAPK1CYP3A4MMEROCK2ROCK1
SCHEMBL1177696 0.83 ALDH1A1 (0.62) MAPK1CYP3A4MMEROCK2ROCK1
SCHEMBL12880450 0.83 MAPK1 (0.65) MAPK1CYP3A4MMEROCK2ROCK1
SCHEMBL14224655 0.83 MAPK1 (0.65) MAPK1CYP3A4MMEROCK2ROCK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6495699-B2 ANTIARTHRITIC AGENTS; OSTEOPOROSIS AGOURON PHARMACEUTICALS INC. 2002-12-17 US disclosed
US-20020019429-A1 Metalloproteinase inhibitors, pharmaceutical compositions containing them, and their use BENDER STEVEN L (US) 2002-02-14 US disclosed
US-6306892-B1 ENZYME INHIBITORS HETEROCYCLIC AMIDES AGOURON PHARMACEUTICALS, INC. 2001-10-23 US disclosed
US-6174915-B1 FOR TREATING MAMMALIAN DISEASE CONDITION MEDIATED BY METALLOPROTEINASE ACTIVITY AGOURON PHARMACEUTICALS, INC. 2001-01-16 US disclosed
US-6008243-A AN ENZYME INHIBITOR FOR PREVENTING THE DEGRADATION AND REMODELING OF CONNECTIVE TISSUES AGOURON PHARMACEUTICALS, INC. (US) 1999-12-28 US disclosed
CN-1233237-A Heteroaryl succinamides and their use as metalloproteinase inhibitors AGOURON PHARMA (US) 1999-10-27 CN disclosed
EP-0937042-A1 HETEROARYL SUCCINAMIDES AND THEIR USE AS METALLOPROTEINASE INHIBITORS AGOURON PHARMACEUTICALS, INC. (US) 1999-08-25 EP disclosed
WO-1998017643-A1 HETEROARYL SUCCINAMIDES AND THEIR USE AS METALLOPROTEINASE INHIBITORS AGOURON PHARMACEUTICALS, INC. (US) 1998-04-30 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-20020019429-A1 Metalloproteinase inhibitors, pharmaceutical compositions containing them, and their use MMP9, MMP2, MMP3 MAPK1 2565/4885CYP3A4 692/4885MME 90/4885

“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.