SCHEMBL7138555

SCHEMBL7138555

CC(C)CCN(C(=O)NC(COCc1ccccc1)C(=O)CO)C(=O)OCc1ccccc1

nearest known ligand 0.42

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MME P08473 1/20 0.42
CTSK P43235 4/20 0.42
CTSS P25774 3/20 0.42
CTSL P07711 1/20 0.42
FOLH1 Q04609 2/20 0.42
MMP9 P14780 1/20 0.41
MMP14 P50281 1/20 0.41
CTSB P07858 2/20 0.40
PPARA Q07869 1/20 0.39
S1PR1 P21453 1/20 0.38

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
SCHEMBL7138559 1.00 MME (0.42) MMECTSKCTSSCTSLFOLH1
SCHEMBL7130607 0.89 SMN1; SMN2 (0.42) CTSKCTSLCTSB
SCHEMBL7137505 0.85 SMN1; SMN2 (0.41) CTSKCTSLCTSB
SCHEMBL7133729 0.83 SMN1; SMN2 (0.42) CTSKCTSLCTSB
SCHEMBL7137549 0.82 CASP1 (0.43) CTSKCTSLCTSB
SCHEMBL7139203 0.80 NMBR (0.59) MMEMMP9MMP14
SCHEMBL7136764 0.78 SMN1; SMN2 (0.42) CTSKCTSLCTSB
SCHEMBL6183201 0.78 CTSL (0.44) CTSKCTSSCTSLCTSB
SCHEMBL7136801 0.78 SMN1; SMN2 (0.44) CTSKCTSSCTSLFOLH1CTSB
SCHEMBL6181961 0.76 CTSC (0.49) CTSKCTSSCTSLCTSB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20030092634-A1 Novel compounds and compositions as protease inhibitors AXYS PHARMACEUTICALS, INC. 2003-05-15 US disclosed
US-6506733-B1 Which process comprises hydrogenating a compound of Formula 9: presence of a catalytic amount of 20% palladium hydroxide on carbon. AXYS PHARMACEUTICALS, INC. 2003-01-14 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-20030092634-A1 Novel compounds and compositions as protease inhibitors SERPINB1, HPN, CTRL MME 16/4885CTSK 29/4885CTSS 9/4885

“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.