SCHEMBL7025291

SCHEMBL7025291

O=C[C@H](CCc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NS(=O)(=O)c1ccccc1

nearest known ligand 0.55

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.55
MMP2 P08253 8/20 0.55
MMP9 P14780 6/20 0.55
CTSL P07711 4/20 0.54
CYP1A2 P05177 1/20 0.52
CYP2C9 P11712 1/20 0.52
CYP2C19 P33261 1/20 0.52
ADAMTS4 O75173 1/20 0.52
ACE P12821 1/20 0.51
CTSB P07858 2/20 0.51
CTSS P25774 2/20 0.51
CTSK P43235 1/20 0.49
ADAMTS5 Q9UNA0 1/20 0.47
MAPT P10636 1/20 0.47
MMP1 P03956 1/20 0.47
MMP3 P08254 1/20 0.47
MMP7 P09237 1/20 0.47
MMP13 P45452 1/20 0.47

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
SCHEMBL7025286 1.00 ALDH1A1 (0.55) ALDH1A1MMP2MMP9CTSLCYP1A2
SCHEMBL7103944 1.00 ALDH1A1 (0.55) ALDH1A1MMP2MMP9CTSLCYP1A2
SCHEMBL7030175 0.88 CTSL (0.60) ALDH1A1CTSLCYP1A2CYP2C9CYP2C19
SCHEMBL7030169 0.88 CTSL (0.60) ALDH1A1CTSLCYP1A2CYP2C9CYP2C19
SCHEMBL7030165 0.88 CTSL (0.60) ALDH1A1CTSLCYP1A2CYP2C9CYP2C19
SCHEMBL7031901 0.85 MMP2 (0.54) ALDH1A1MMP2MMP9CTSLADAMTS4
SCHEMBL7031900 0.85 MMP2 (0.54) ALDH1A1MMP2MMP9CTSLADAMTS4
SCHEMBL7027265 0.77 CTSL (0.75) CTSLCTSBCTSS
SCHEMBL7027268 0.77 CTSL (0.75) CTSLCTSBCTSS
SCHEMBL7027261 0.77 CTSL (0.75) CTSLCTSBCTSS

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
WO-2002048097-A9 COMPOUNDS, COMPOSITIONS AND METHODS FOR TREATMENT OF PARASITIC INFECTIONS CORVAS INT INC (US) 2003-05-08 WO claimed
US-20020107266-A1 Compounds, compositions and methods for treatment of parasitic infections DENDREON CORPORATION 2002-08-08 US claimed
WO-2002048097-A1 COMPOUNDS, COMPOSITIONS AND METHODS FOR TREATMENT OF PARASITIC INFECTIONS CORVAS INTERNATIONAL, INC. (US) 2002-06-20 WO claimed
WO-2002048097-A9 COMPOUNDS, COMPOSITIONS AND METHODS FOR TREATMENT OF PARASITIC INFECTIONS CORVAS INT INC (US) 2003-05-08 WO disclosed
US-20020107266-A1 Compounds, compositions and methods for treatment of parasitic infections DENDREON CORPORATION 2002-08-08 US disclosed
WO-2002048097-A1 COMPOUNDS, COMPOSITIONS AND METHODS FOR TREATMENT OF PARASITIC INFECTIONS CORVAS INTERNATIONAL, INC. (US) 2002-06-20 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 (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-20020107266-A1 Compounds, compositions and methods for treatment of parasitic infections CAT, CTSA, CTRL ALDH1A1 2678/4885MMP2 25/4885MMP9 48/4885

“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.