SCHEMBL7057772

SCHEMBL7057772

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

nearest known ligand 0.64

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CTSS P25774 3/20 0.64
PPARA Q07869 2/20 0.62
REN P00797 5/20 0.61
PPARG P37231 1/20 0.57
CTSK P43235 4/20 0.56
CTSL P07711 2/20 0.56
PSEN1 P49768 2/20 0.53
PSEN2 P49810 2/20 0.53
APH1B Q8WW43 2/20 0.53
NCSTN Q92542 2/20 0.53
APH1A Q96BI3 2/20 0.53
PSENEN Q9NZ42 2/20 0.53
RAB9A P51151 1/20 0.53
KLK7 P49862 2/20 0.52
KLK5 Q9Y337 2/20 0.52
CAPN1 P07384 1/20 0.52

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
SCHEMBL10045821 0.89 CTSS (0.67) CTSSPPARARENPPARGCTSK
SCHEMBL7324916 0.88 CTSS (0.68) CTSSPPARARENPPARGCTSK
SCHEMBL24102984 0.88 CTSS (0.68) CTSSPPARARENPPARGCTSK
SCHEMBL31107927 0.88 CTSS (0.60) CTSSPPARARENPPARGCTSK
SCHEMBL2948481 0.88 PPARA (0.74) CTSSPPARARENPPARGCTSK
SCHEMBL5249102 0.88 PPARA (0.74) CTSSPPARARENPPARGCTSK
SCHEMBL2948482 0.88 PPARA (0.74) CTSSPPARARENPPARGCTSK
SCHEMBL31107834 0.87 CTSS (0.59) CTSSPPARARENPPARGCTSK
SCHEMBL6043317 0.87 PPARA (0.64) CTSSPPARARENPPARGCTSK
SCHEMBL6857159 0.87 REN (0.68) CTSSRENCTSKCTSLPSEN1

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 CTSS 122/4885PPARA 1388/4885REN 156/4885
US-20030060473-A1 Piperazine compounds as inhibitors of MMP or TNF MMP2, MMP1, TNF CTSS 111/4885PPARA 1284/4885REN 122/4885

“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.