SCHEMBL7146237

SCHEMBL7146237

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

nearest known ligand 0.60

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 2/20 0.52
MMP8 P22894 3/20 0.51
KMT2A Q03164 2/20 0.51
MAPT P10636 2/20 0.51
GAA P10253 1/20 0.51
EGFR P00533 2/20 0.51
SRC P12931 1/20 0.51
MEN1 O00255 1/20 0.50
ALDH1A1 P00352 1/20 0.50
LMNA P02545 1/20 0.50
CYP1A2 P05177 1/20 0.50
CYP2D6 P10635 1/20 0.50
CYP2C9 P11712 1/20 0.50
TSHR P16473 1/20 0.50
CYP2C19 P33261 1/20 0.50
SLC1A1 P43005 1/20 0.48

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
SCHEMBL27395590 1.00 LTA4H (0.52) LTA4HMMP8KMT2AMAPTGAA
SCHEMBL7524502 0.88 ALDH1A1 (0.55) MMP8KMT2AMAPTEGFRSRC
SCHEMBL8549363 0.88 ALDH1A1 (0.55) MMP8KMT2AMAPTEGFRSRC
SCHEMBL26303620 0.88 ALDH1A1 (0.55) MMP8KMT2AMAPTEGFRSRC
SCHEMBL18274706 0.85 SLC1A1 (0.61) MMP8KMT2AMAPTEGFRSRC
SCHEMBL1697377 0.84 MMP8 (0.53) MMP8KMT2AGAAEGFRSRC
SCHEMBL5653978 0.84 MMP8 (0.53) MMP8KMT2AGAAEGFRSRC
SCHEMBL3114367 0.84 ALPI (0.61) LTA4HMMP8KMT2AEGFRSRC
SCHEMBL7413310 0.84 ALPI (0.61) LTA4HMMP8KMT2AEGFRSRC
SCHEMBL47278 0.84 MMP8 (0.53) MMP8KMT2AGAAEGFRSRC

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0928790-B1 Thiazole derivatives HOFFMANN LA ROCHE (CH) 2003-03-05 EP disclosed
US-6437145-B1 REACTING N-PROTECTED AMINODICARBOXYLIC ACIDS WITH A DEHYDRATING AGENT TO FORM CYCLIC ANHYDRIDES WHICH ARE REACTED WITH CARBONYL COMPOUNDS; FOR THE ALPHA-SELECTIVE PRODUCTION OF ESTERS OR AMIDES OF DICARBOXYLIC AMINO ACIDS DEGUSSA-HULS AG (DE) 2002-08-20 US disclosed
CN-1080720-C Thiazole derivatives HOFFMANN LA ROCHE (CH) 2002-03-13 CN disclosed
US-6344562-B1 ANTITUMOR AGENTS HOFFMANN-LA ROCHE INC. 2002-02-05 US disclosed
US-20020010316-A1 Thiazole derivatives ALIG LEO (CH) 2002-01-24 US disclosed
US-6320054-B1 INHIBIT BINDING OF ADHESIVE PROTEINS TO THE SURFACE OF DIFFERENT TYPES F CELL AND ACCORDINGLY INFLUENCE CELL-CELL AND CELL-MATRIX INTERACTIONS. HOFFMAN-LA ROCHE INC. 2001-11-20 US disclosed
US-6100282-A Thiazole derivatives HOFFMAN-LA ROCHE INC. (US) 2000-08-08 US disclosed
US-6051715-A Method of producing oxazolidinones, the use thereof and novel oxazolidinones DEGUSSA-HULS AG (DE) 2000-04-18 US disclosed
CN-1224718-A Thiazole derivatives HOFFMANN LA ROCHE (CH) 1999-08-04 CN disclosed
EP-0928790-A1 Thiazole derivatives F. HOFFMANN-LA ROCHE AG (CH) 1999-07-14 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-20020010316-A1 Thiazole derivatives VCAM1, SOST, TGFB1 LTA4H 2748/4885MMP8 1037/4885KMT2A 4510/4885

“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.