SCHEMBL6062828

SCHEMBL6062828

CCC(C)C(NC(=O)OCc1ccccc1)C(C(=O)c1nc2ccccc2o1)S(=O)(=O)NCCCc1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRSS8 Q16651 2/20 0.43
ELANE P08246 2/20 0.41
FAAH O00519 1/20 0.40
CES1 P23141 1/20 0.40
DAGLA Q9Y4D2 1/20 0.40
ATM Q13315 1/20 0.39
HDAC3 O15379 1/20 0.38
HDAC4 P56524 1/20 0.38
HDAC1 Q13547 1/20 0.38
HDAC7 Q8WUI4 1/20 0.38
HDAC2 Q92769 1/20 0.38
HDAC10 Q969S8 1/20 0.38
HDAC11 Q96DB2 1/20 0.38
HDAC8 Q9BY41 1/20 0.38
HDAC6 Q9UBN7 1/20 0.38
HDAC9 Q9UKV0 1/20 0.38
HDAC5 Q9UQL6 1/20 0.38
CASP3 P42574 2/20 0.38
PTPN2 P17706 1/20 0.38
PTPN1 P18031 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
SCHEMBL7042850 0.80 PRSS8 (0.46) PRSS8ELANEATMCTSLCTSB
SCHEMBL7045325 0.77 DAGLA (0.44) FAAHCES1DAGLAPTPN2PTPN1
SCHEMBL7415173 0.76 PRSS8 (0.41) PRSS8ELANEFAAHCES1DAGLA
SCHEMBL7415176 0.75 ELANE (0.44) PRSS8ELANEATMCASP3CTSS
SCHEMBL7042854 0.75 PRSS8 (0.49) PRSS8ELANECTSLCTSBCTSS
SCHEMBL7045289 0.71 PRSS8 (0.45) PRSS8ELANEFAAHCES1DAGLA
SCHEMBL6462504 0.71 FAAH (0.44) FAAHCES1DAGLAPTPN2PTPN1
SCHEMBL6466347 0.69 CTSK (0.58) CTSLCTSBCTSSCTSK
SCHEMBL7049761 0.67 ELANE (0.46) PRSS8ELANEFAAHCES1DAGLA
SCHEMBL12221562 0.66 ATM (0.51) ATM

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
EP-1694357-A1 USE OF CATHEPSIN S INHIBITORS FOR TREATING AN IMMUNE RESPONSE CAUSED BY ADMINISTRATION OF A SMALL MOLECULE THERAPEUTIC OR BIOLOGIC AXYS PHARMACEUTICALS, INC. (US) 2006-08-30 EP disclosed
WO-2005058348-A1 USE OF CATHEPSIN S INHIBITORS FOR TREATING AN IMMUNE RESPONSE CAUSED BY ADMINISTRATION OF A SMALL MOLECULE THERAPEUTIC OR BIOLOGIC AXYS PHARMACEUTICALS, INC. (US) 2005-06-30 WO disclosed
US-20030232864-A1 Novel Compounds and compositions as protease inhibitors AXYS PHARMACEUTICALS, INC. (US) 2003-12-18 US disclosed
US-6576630-B1 Alkanoyl substituted benzooxazoles or naphthooxazoles AXYS PHARMACEUTICALS, INC. 2003-06-10 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 PRSS8 33/4885ELANE 50/4885FAAH 479/4885

“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.