SCHEMBL7080833

SCHEMBL7080833

O=C(O)C(CCN1C(=O)c2ccccc2C1=O)C(=O)O

nearest known ligand 0.62

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.58
CA12 O43570 1/20 0.56
CA9 Q16790 1/20 0.56
MMP2 P08253 6/20 0.53
MMP9 P14780 6/20 0.53
CASP3 P42574 1/20 0.53
SMN1; SMN2 Q16637 1/20 0.53
MAPT P10636 1/20 0.53
NPSR1 Q6W5P4 1/20 0.53
GLS O94925 1/20 0.52
HDAC1 Q13547 3/20 0.51
HDAC7 Q8WUI4 3/20 0.51
MMP3 P08254 1/20 0.50
MMP13 P45452 1/20 0.50

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
SCHEMBL7342436 0.90 MMP2 (0.52) ALDH1A1CA12CA9MMP2MMP9
SCHEMBL7348786 0.86 MMP2 (0.51) ALDH1A1CA12CA9MMP2MMP9
SCHEMBL1781793 0.86 ALDH1A1 (0.55) ALDH1A1CA12CA9MMP2MMP9
SCHEMBL1286243 0.86 ALDH1A1 (0.55) ALDH1A1CA12CA9MMP2MMP9
SCHEMBL20556320 0.85 MMP2 (0.51) ALDH1A1MMP2MMP9SMN1; SMN2MAPT
SCHEMBL6579299 0.84 MMP2 (0.52) ALDH1A1CA12CA9MMP2MMP9
SCHEMBL7286787 0.84 CA12 (0.51) ALDH1A1CA12CA9MMP2MMP9
SCHEMBL7286779 0.84 CA12 (0.51) ALDH1A1CA12CA9MMP2MMP9
SCHEMBL876560 0.84 SMN1; SMN2 (0.53) ALDH1A1CA12CA9MMP2MMP9
SCHEMBL6579291 0.84 MMP2 (0.52) ALDH1A1CA12CA9MMP2MMP9

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
US-20030207889-A1 Hydroxamic and carboxylic acid derivatives having MMP and TNF inhibitory activity OWEN DAVID ALAN (GB) 2003-11-06 US disclosed
EP-0923529-B1 SUBSTITUTE 4-ARYLBUTYRIC ACID DERIVATIVES AS MATRIX METALLOPROTEASE INHIBITORS BAYER AG (US) 2001-09-19 EP disclosed
US-6118001-A ANTICANCER AGENT; ANTIARTHRITIC AGENT DARWIN DISCOVERY, LTD. (GB) 2000-09-12 US disclosed
EP-0923529-A1 SUBSITUTE 4-ARYLBUTYRIC ACID DERIVATIVES AS MATRIX METALLOPROTEASE INHIBITORS Bayer Corporation (US) 1999-06-23 EP disclosed
US-5863915-A ENZYME INHIBITORS FOR BONES AND JOINTS BAYER CORPORATION (US) 1999-01-26 US disclosed
WO-1997043238-A9 SUBSTITUTED OXOBUTYRIC ACIDS AS MATRIX METALLOPROTEASE INHIBITORS 1998-03-05 WO disclosed
WO-1997043237-A1 SUBSITUTE 4-ARYLBUTYRIC ACID DERIVATIVES AS MATRIX METALLOPROTEASE INHIBITORS BAYER CORPORATION (US) 1997-11-20 WO disclosed
EP-0046712-B1 FLUORINATED DIAMINOBUTANE DERIVATIVES MERRELL TORAUDE ET COMPAGNIE (FR) 1985-02-06 EP disclosed
US-4435425-A INHIBITORS OF GAMMA-AMINOBUTYRIC ACID TRANSAMINASE MERRELL TORAUDE ET COMPAGNIE (FR) 1984-03-06 US disclosed
EP-0046712-A1 Fluorinated diaminobutane derivatives MERRELL TORAUDE ET COMPAGNIE (FR) 1982-03-03 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-20030207889-A1 Hydroxamic and carboxylic acid derivatives having MMP and TNF inhibitory activity MMP13, MMP2, MMP9 ALDH1A1 408/4885CA12 134/4885CA9 91/4885

“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.