SCHEMBL7045310

SCHEMBL7045310

COc1ccccc1CS(=O)(=O)CC(NC(=O)N(C)C)C(=O)NCCCC(=O)c1nc2ccccc2o1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FAAH O00519 3/20 0.38
CES1 P23141 2/20 0.38
DAGLA Q9Y4D2 1/20 0.38
P2RY14 Q15391 1/20 0.37
HDAC6 Q9UBN7 2/20 0.37
HDAC3 O15379 1/20 0.37
HDAC4 P56524 1/20 0.37
HDAC1 Q13547 1/20 0.37
HDAC7 Q8WUI4 1/20 0.37
HDAC2 Q92769 1/20 0.37
HDAC10 Q969S8 1/20 0.37
HDAC11 Q96DB2 1/20 0.37
HDAC8 Q9BY41 1/20 0.37
HDAC9 Q9UKV0 1/20 0.37
HDAC5 Q9UQL6 1/20 0.37
MAPT P10636 2/20 0.36
LMNA P02545 1/20 0.36
TLR4 O00206 1/20 0.35
XDH P47989 1/20 0.35
NLRP3 Q96P20 1/20 0.35

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
SCHEMBL7188004 0.88 FAAH (0.39) FAAHCES1DAGLAHDAC6HDAC3
SCHEMBL7045344 0.86 FAAH (0.41) FAAHCES1DAGLAP2RY14HDAC6
SCHEMBL6478314 0.84 CTSS (0.42) CTSS
SCHEMBL7045307 0.84 CTSS (0.42) CTSS
SCHEMBL6467430 0.81 P2RY14 (0.35) FAAHCES1P2RY14MAPTLMNA
SCHEMBL6467432 0.81 P2RY14 (0.37) P2RY14MAPTPOLBTDP1CTSS
SCHEMBL6467434 0.80 HDAC6 (0.40) FAAHCES1DAGLAP2RY14HDAC6
SCHEMBL6478317 0.79 FAAH (0.38) FAAHCES1DAGLAP2RY14MAPT
SCHEMBL6463510 0.78 FAAH (0.41) FAAHCES1DAGLAP2RY14HDAC6
SCHEMBL6630032 0.78 DAGLA (0.40) FAAHCES1DAGLAP2RY14HDAC6

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 FAAH 479/4885CES1 272/4885DAGLA 2304/4885

“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.