SCHEMBL3339675

SCHEMBL3339675

CC(C)(C)OC(=O)N[C@@H](CC(=O)O)c1ccc(F)cc1

nearest known ligand 0.49

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CTSS P25774 2/20 0.49
CTSK P43235 2/20 0.49
PRNP P04156 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
RXFP1 Q9HBX9 1/20 0.46
CTSA P10619 7/20 0.45
FAAH O00519 1/20 0.43
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
LMNA P02545 1/20 0.43
TSHR P16473 1/20 0.43
CYP26A1 O43174 1/20 0.41
ITGB3 P05106 1/20 0.41
ITGAV P06756 1/20 0.41
ITGA2B P08514 1/20 0.41

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
SCHEMBL27609243 1.00 CTSS (0.49) CTSSCTSKPRNPNPSR1RXFP1
SCHEMBL1147851 1.00 CTSS (0.49) CTSSCTSKPRNPNPSR1RXFP1
SCHEMBL17697945 0.89 CTSS (0.42) CTSSCTSKNPSR1MEN1KMT2A
SCHEMBL16689354 0.89 CTSS (0.42) CTSSCTSKNPSR1MEN1KMT2A
SCHEMBL16680294 0.88 HTT (0.48) CTSSCTSKNPSR1FAAHMEN1
SCHEMBL16680292 0.88 HTT (0.48) CTSSCTSKNPSR1FAAHMEN1
SCHEMBL13118109 0.87 CTSS (0.48) CTSSCTSKNPSR1MEN1KMT2A
SCHEMBL15654514 0.87 CYP26A1 (0.53) CTSACYP26A1
SCHEMBL3874575 0.87 CTSS (0.48) CTSSCTSKNPSR1MEN1KMT2A
SCHEMBL3525211 0.87 CTSS (0.48) CTSSCTSKNPSR1MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2017222083-A1 NOVEL COMPOUNDS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2017-12-28 WO disclosed
US-20100152219-A1 PYRAZOLE DERIVATIVES AS INHIBITORS OF RECEPTOR TYROSINE KINASES ASTRAZENECA R&D (SE) 2010-06-17 US disclosed
EP-1686999-B1 PYRAZOLE DERIVATIVES AS INHIBITORS OF RECEPTOR TYROSINE KINASES ASTRAZENECA AB (SE) 2009-07-01 EP disclosed
US-20070142413-A1 Pyrazole derivatives as inhibitors of receptor tyrosone kinases ASTRAZENECA AB (SE) 2007-06-21 US disclosed
CN-1905884-A Pyrazole derivatives as inhibitors of receptor tyrosyne kinases ASTRAZENECA AB (SE) 2007-01-31 CN disclosed
EP-1686999-A1 PYRAZOLE DERIVATIVES AS INHIBITORS OF RECEPTOR TYROSINE KINASES AstraZeneca AB (SE) 2006-08-09 EP disclosed
WO-2005049033-A1 PYRAZOLE DERIVATIVES AS INHIBITORS OF RECEPTOR TYROSYNE KINASES ASTRAZENECA AB (SE) 2005-06-02 WO 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 (2 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-20100152219-A1 PYRAZOLE DERIVATIVES AS INHIBITORS OF RECEPTOR TYROSINE KINASES LTK, ERBB2, ERBB3 CTSS 3636/4885CTSK 731/4885PRNP 3871/4885
US-20070142413-A1 Pyrazole derivatives as inhibitors of receptor tyrosone kinases PRKDC, MUSK, LTK CTSS 3679/4885CTSK 745/4885PRNP 4233/4885

“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.