SCHEMBL7048614

SCHEMBL7048614

O=C(NC(CS(=O)(=O)Cc1ccccc1)C(=O)N(CCCc1ccccc1)C(=O)c1nc2ccccc2o1)N1CCNCC1

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
DAGLA Q9Y4D2 2/20 0.41
FAAH O00519 1/20 0.41
CES1 P23141 1/20 0.41
CTSK P43235 2/20 0.37
CTSS P25774 8/20 0.35
CTSL P07711 1/20 0.34
CTSB P07858 1/20 0.34
KMT2A Q03164 1/20 0.33
PRSS8 Q16651 1/20 0.33
LMNA P02545 1/20 0.33
MAPT P10636 1/20 0.33
RAB9A P51151 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
TAAR1 Q96RJ0 1/20 0.33
ALDH1A1 P00352 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2C9 P11712 1/20 0.33
ASAH1 Q13510 1/20 0.33
XDH P47989 1/20 0.33

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
SCHEMBL7045520 0.93 FAAH (0.36) DAGLAFAAHCES1CTSKCTSS
SCHEMBL6461829 0.86 CTSS (0.43) CTSKCTSSCTSLCTSBCYP3A4
SCHEMBL6463182 0.85 CTSS (0.43) FAAHCES1CTSKCTSSCTSL
SCHEMBL6462678 0.85 CTSS (0.40) DAGLAFAAHCES1CTSKCTSS
SCHEMBL6468761 0.85 CTSS (0.40) DAGLAFAAHCES1CTSKCTSS
SCHEMBL7044830 0.85 CTSS (0.40) DAGLAFAAHCES1CTSKCTSS
SCHEMBL6062849 0.85 CTSS (0.42) DAGLAFAAHCES1CTSKCTSS
SCHEMBL7043169 0.84 CTSS (0.44) CTSKCTSSCTSLCTSBCYP3A4
SCHEMBL7049518 0.84 DAGLA (0.46) DAGLAFAAHCES1ALDH1A1XDH
SCHEMBL6467519 0.83 CTSS (0.38) DAGLAFAAHCES1CTSKCTSS

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20030232864-A1 Novel Compounds and compositions as protease inhibitors AXYS PHARMACEUTICALS, INC. (US) 2003-12-18 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-20030232864-A1 Novel Compounds and compositions as protease inhibitors SERPINB1, CTRL, CTSZ DAGLA 2304/4885FAAH 479/4885CES1 272/4885

“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.