SCHEMBL7250425

SCHEMBL7250425

C[C@@H](Cc1nc(-c2ccccn2)oc1C(=O)[C@H](CCc1ccccc1)NC(=O)[CH]CC1CCCCC1)C(N)=O

nearest known ligand 0.34

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MMP1 P03956 1/20 0.34
MMP2 P08253 1/20 0.34
MMP3 P08254 1/20 0.34
BMP1 P13497 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.32
ALDH1A1 P00352 2/20 0.32
KDM4E B2RXH2 1/20 0.32
THRB P10828 1/20 0.32
HPGD P15428 1/20 0.32
REN P00797 4/20 0.32
CTSK P43235 1/20 0.32
CTSL P07711 1/20 0.32
CTSB P07858 1/20 0.32
CTSS P25774 1/20 0.32
FAAH O00519 5/20 0.31
CES1 P23141 4/20 0.31
NCEH1 Q6PIU2 1/20 0.31
HTT P42858 1/20 0.31

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
SCHEMBL6918530 0.93 BMP1 (0.34) MMP2BMP1SMN1; SMN2ALDH1A1KDM4E
SCHEMBL6918534 0.93 BMP1 (0.34) MMP2BMP1SMN1; SMN2ALDH1A1KDM4E
SCHEMBL6801144 0.92 CTSL (0.33) MMP1MMP2MMP3ALDH1A1REN
SCHEMBL6806939 0.89 CTSL (0.36) MMP1MMP2MMP3CTSKCTSL
SCHEMBL6918536 0.80 BMP1 (0.40) BMP1ALDH1A1KDM4ETHRBHPGD
SCHEMBL6799439 0.76 MAPT (0.39) MMP1MMP2MMP3ALDH1A1CTSK
SCHEMBL6807154 0.76 KMT2A (0.36) MMP1MMP2MMP3ALDH1A1REN
SCHEMBL6801151 0.74 CTSL (0.39) MMP1MMP2MMP3RENCTSK
SCHEMBL7363592 0.73 FAAH (0.34) FAAH
SCHEMBL6807131 0.72 PPARG (0.38) MMP1MMP2MMP3SMN1; SMN2ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20020091259-A1 Compounds useful as reversible inhibitors of cathepsin S CYWIN CHARLES L (US) 2002-07-11 US claimed
US-6608057-B2 Compounds useful as reversible inhibitors of cathepsin S BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. 2003-08-19 US disclosed
US-20020091259-A1 Compounds useful as reversible inhibitors of cathepsin S CYWIN CHARLES L (US) 2002-07-11 US disclosed
US-6395897-B1 DRUGS FOR ENZYME INHIBITORS ANTICOAGULANTS AND TREATMENT OF AUTOIMMUNE DISEASE BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. 2002-05-28 US 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-20020091259-A1 Compounds useful as reversible inhibitors of cathepsin S CTSS, CTSB, CTSV MMP1 102/4885MMP2 107/4885MMP3 195/4885

“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.