SCHEMBL7057256

SCHEMBL7057256

CC(=O)[C@H](COCc1ccccc1)NC(=O)OC(C)(C)C

nearest known ligand 0.76

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 3/20 0.76
CTSS P25774 4/20 0.71
PPARG P37231 2/20 0.69
KLK7 P49862 2/20 0.59
KLK5 Q9Y337 2/20 0.59
RAB9A P51151 1/20 0.54
CTSK P43235 3/20 0.53
CTSL P07711 1/20 0.53
CTSB P07858 1/20 0.53
ACE P12821 1/20 0.51
MEN1 O00255 1/20 0.49
KMT2A Q03164 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
REN P00797 1/20 0.49
SYK P43405 1/20 0.49
ATM Q13315 1/20 0.49
PTPN2 P17706 1/20 0.48
PTPN1 P18031 1/20 0.48
PTPN6 P29350 1/20 0.48
CDC25A P30304 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
SCHEMBL29229102 1.00 PPARA (0.76) PPARACTSSPPARGKLK7KLK5
SCHEMBL2728641 0.91 PPARA (0.74) PPARACTSSPPARGKLK7KLK5
SCHEMBL2728639 0.91 PPARA (0.74) PPARACTSSPPARGKLK7KLK5
SCHEMBL3893943 0.91 PPARA (0.74) PPARACTSSPPARGKLK7KLK5
SCHEMBL828674 0.91 PPARA (0.90) PPARACTSSPPARGKLK7KLK5
SCHEMBL17051 0.91 PPARA (0.90) PPARACTSSPPARGKLK7KLK5
SCHEMBL1132901 0.91 PPARA (0.90) PPARACTSSPPARGKLK7KLK5
SCHEMBL17268413 0.89 PPARA (0.71) PPARACTSSPPARGKLK7KLK5
SCHEMBL2948481 0.88 PPARA (0.74) PPARACTSSPPARGKLK7KLK5
SCHEMBL7518373 0.88 PPARA (0.74) PPARACTSSPPARGKLK7KLK5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20030060473-A1 Piperazine compounds as inhibitors of MMP or TNF FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2003-03-27 US disclosed
US-6489324-B2 TREATING STROKE, ARHTRITIS, CANCER, TISSUE ULCERATION, DECUBITIS ULCER, RESTENOSIS, PERIODONTAL DISEASE, EPIDERMOLYSIS BULLOSA, SCLERITIS, PSORIASIS, AIDS, SEPSIS, AND SEPTIC SHOCK. FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2002-12-03 US disclosed
US-20020128270-A1 Piperazine compounds as inhibitors of MMP or TNF FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2002-09-12 US disclosed
US-6333324-B1 FOR THERAPY AND PROPHYLAXIS OF MATRIX METALLOPROTEINASES (MMP) OR TUMOR NECROSIS FACTOR .ALPHA. (TNF.ALPHA.), MEDIATED DISEASES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2001-12-25 US disclosed
EP-0948489-A1 PIPERAZINE COMPOUNDS AS INHIBITORS OF MMP OR TNF FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1999-10-13 EP disclosed
WO-1998027069-A1 PIPERAZINE COMPOUNDS AS INHIBITORS OF MMP OR TNF FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1998-06-25 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 (2 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-20020128270-A1 Piperazine compounds as inhibitors of MMP or TNF MMP1, MMP2, TNF PPARA 1388/4885CTSS 122/4885PPARG 1403/4885
US-20030060473-A1 Piperazine compounds as inhibitors of MMP or TNF MMP2, MMP1, TNF PPARA 1284/4885CTSS 111/4885PPARG 1324/4885

“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.