SCHEMBL7044976

SCHEMBL7044976

CC(C)CCN(C(=O)N[C@@H](CCc1ccccc1)C(O)c1nc2ccc3ccccc3c2o1)C(=O)C1CCN(C(=O)OC(C)(C)C)CC1

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PTPRB P23467 2/20 0.38
STS P08842 1/20 0.38
PTPN11 Q06124 1/20 0.38
GAA P10253 1/20 0.37
THRB P10828 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
GPR119 Q8TDV5 1/20 0.36
MAPK1 P28482 1/20 0.36
USP30 Q70CQ3 1/20 0.36
MEN1 O00255 10/20 0.36
KMT2A Q03164 10/20 0.36
ALDH1A1 P00352 4/20 0.35
MAPT P10636 2/20 0.35
KEAP1 Q14145 1/20 0.35
NFE2L2 Q16236 1/20 0.35
SLC2A1 P11166 1/20 0.34
POLB P06746 1/20 0.34
NPSR1 Q6W5P4 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
SCHEMBL7046969 0.90 PTPRB (0.39) PTPRBSTSPTPN11GAATHRB
SCHEMBL7049413 0.86 CTSL (0.41) PTPRBSTSPTPN11GAATHRB
SCHEMBL7046217 0.86 CTSL (0.44) PTPRBSTSPTPN11GAATHRB
SCHEMBL7046421 0.86 USP30 (0.39) PTPRBSTSPTPN11GPR119MAPK1
SCHEMBL7049593 0.84 CTSL (0.44) PTPRBSTSPTPN11GPR119MAPK1
SCHEMBL7183810 0.79 CTSL (0.42) PTPRBSTSPTPN11GAATHRB
SCHEMBL7048358 0.74 SMN1; SMN2 (0.38) SMN1; SMN2MAPT
SCHEMBL6061657 0.71 PRSS8 (0.43) PTPRBSTSPTPN11USP30MAPT
SCHEMBL7047995 0.70 CTSS (0.46) GPR119KMT2A
SCHEMBL7134284 0.68 PTPRB (0.40) PTPRBSTSPTPN11GPR119MAPK1

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 PTPRB 2991/4885STS 682/4885PTPN11 1824/4885

“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.