SCHEMBL7043181

SCHEMBL7043181

O=C(CC(NC(=O)Nc1cccnc1)C1CCCCC1)NCCC(C(=O)c1nc2ccccc2o1)c1ccccc1

nearest known ligand 0.39

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.39
FPR2 P25090 4/20 0.39
EPHX2 P34913 2/20 0.39
CTSS P25774 4/20 0.37
ELANE P08246 2/20 0.35
BDKRB2 P30411 1/20 0.35
ADRB2 P07550 1/20 0.35
ADRB1 P08588 1/20 0.35
ADRB3 P13945 1/20 0.35
OPRK1 P41145 1/20 0.34
KDM4E B2RXH2 1/20 0.34

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
SCHEMBL6061692 0.85 CTSS (0.41) CTSSELANE
SCHEMBL7048374 0.77 POLB (0.38) POLBFPR2EPHX2BDKRB2ADRB2
SCHEMBL7045911 0.76 EPHX2 (0.47) EPHX2CTSSELANEKDM4E
SCHEMBL6463639 0.74 PSMB5 (0.37) POLBFPR2EPHX2BDKRB2
SCHEMBL6466351 0.72 FAAH (0.38) CTSSELANE
SCHEMBL7044254 0.72 KMT2A (0.42) CTSS
SCHEMBL7043177 0.71 FPR2 (0.53) FPR2CTSS
SCHEMBL7045315 0.71 KMT2A (0.39)
SCHEMBL6463422 0.71 FAAH (0.41) CTSS
SCHEMBL6461911 0.70 FAAH (0.42) CTSS

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-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 POLB 3957/4885FPR2 2099/4885EPHX2 696/4885

“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.