SCHEMBL3114367

SCHEMBL3114367

N[C@@H](Cc1ccccc1)C(=O)NCc1ccccc1

nearest known ligand 0.73

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALPI P09923 1/20 0.61
PKM P14618 1/20 0.61
PTGS1 P23219 1/20 0.61
XIAP P98170 1/20 0.61
SLC7A5 Q01650 1/20 0.61
MMP8 P22894 1/20 0.61
EGFR P00533 2/20 0.59
SRC P12931 1/20 0.59
SLC15A1 P46059 1/20 0.57
CTSC P53634 1/20 0.56
MMP2 P08253 1/20 0.56
ALDH1A1 P00352 1/20 0.55
CYP3A4 P08684 1/20 0.55
LTA4H P09960 1/20 0.54
KMT2A Q03164 1/20 0.53
ANPEP P15144 1/20 0.53
MME P08473 1/20 0.53

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
SCHEMBL7413310 1.00 ALPI (0.61) ALPIPKMPTGS1XIAPSLC7A5
Hydrochloric Acid SCHEMBL3385081 0.98 MMP8 (0.59) ALPIPKMPTGS1XIAPSLC7A5
Hydrochloric Acid SCHEMBL27492563 0.98 MMP8 (0.59) ALPIPKMPTGS1XIAPSLC7A5
SCHEMBL21781783 0.92 MMP8 (0.54) ALPIPKMPTGS1XIAPSLC7A5
SCHEMBL21137540 0.92 MMP8 (0.54) ALPIPKMPTGS1XIAPSLC7A5
SCHEMBL15623830 0.92 OPRK1 (0.59) ALPIPKMPTGS1XIAPSLC7A5
SCHEMBL8817411 0.91 ALDH1A1 (0.59) ALPIPKMPTGS1XIAPSLC7A5
SCHEMBL8817408 0.91 ALDH1A1 (0.59) ALPIPKMPTGS1XIAPSLC7A5
SCHEMBL8131629 0.91 ALDH1A1 (0.59) ALPIPKMPTGS1XIAPSLC7A5
SCHEMBL21768262 0.88 PTPN1 (0.54) ALPIPKMPTGS1XIAPSLC7A5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2002028829-A2 PEPTIDE DEFORMYLASE INHIBITORS QUESTCOR PHARMACEUTICALS, INC. (US) 2002-04-11 WO claimed
US-8268789-B2 PAR-2 antagonists KOWA COMPANY, LTD. (JP) 2012-09-18 US disclosed
US-8268789-B2 PAR-2 antagonists KOWA COMPANY, LTD. (JP) 2012-09-18 US disclosed
US-7732605-B2 Synthesis of diketopiperazines NEREUS PHARMACEUTICALS, INC. (US) 2010-06-08 US disclosed
US-20090012006-A1 Par-2 Antagonists KOWA COMPANY, LTD. (JP) 2009-01-08 US disclosed
US-20090012006-A1 Par-2 Antagonists KOWA COMPANY, LTD. (JP) 2009-01-08 US disclosed
EP-0564924-B1 2-Oxoethyl derivatives as immunosuppressants BAYER AG (US) 1998-09-09 EP disclosed
EP-0689538-B1 HYDROXAMIC ACID DERIVATIVES AS METALLOPROTEINASE INHIBITORS BRITISH BIOTECH PHARM (GB) 1998-08-12 EP disclosed
US-5686424-A FOR TREATING INFLAMMATION MILES INC. (US) 1997-11-11 US disclosed
US-5652262-A Hydroxamic acid derivatives as metalloproteinase inhibitors BRITISH BIOTECH PHARMACEUTICAL, LTD. (GB) 1997-07-29 US disclosed
EP-0689538-A1 HYDROXAMIC ACID DERIVATIVES AS METALLOPROTEINASE INHIBITORS BRITISH BIOTECH PHARMACEUTICALS LIMITED (GB) 1996-01-03 EP disclosed
WO-1994021625-A1 HYDROXAMIC ACID DERIVATIVES AS METALLOPROTEINASE INHIBITORS BRITISH BIOTECH PHARMACEUTICALS LIMITED (GB) 1994-09-29 WO disclosed
EP-0564924-A2 2-Oxoethyl derivatives as immunosuppressants Bayer Corporation (US) 1993-10-13 EP 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-20090012006-A1 Par-2 Antagonists F2RL1, F2R, F2RL3 ALPI 4834/4885PKM 2445/4885PTGS1 194/4885

“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.