SCHEMBL3337824

SCHEMBL3337824

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

nearest known ligand 0.36

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.36
RIPK1 Q13546 2/20 0.35
HPGD P15428 2/20 0.34
ALDH1A1 P00352 2/20 0.33
TXNRD1 Q16881 1/20 0.33
KDM4E B2RXH2 1/20 0.33
FFAR1 O14842 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
MEN1 O00255 1/20 0.33
MAPT P10636 1/20 0.33
PKM P14618 1/20 0.33
TSHR P16473 1/20 0.33
KMT2A Q03164 1/20 0.33
HTT P42858 1/20 0.33
AOC3 Q16853 1/20 0.33

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
SCHEMBL4352633 0.87 KDM4E (0.39) RIPK1ALDH1A1KDM4EMEN1MAPT
SCHEMBL1274248 0.87 KDM4E (0.39) RIPK1ALDH1A1KDM4EMEN1MAPT
SCHEMBL7244883 0.84 OPRM1 (0.41) MEN1KMT2A
SCHEMBL7244888 0.84 OPRM1 (0.41) MEN1KMT2A
SCHEMBL3340453 0.84 TDP1 (0.38) TDP1RIPK1HPGDALDH1A1KDM4E
SCHEMBL3338985 0.84 TDP1 (0.38) TDP1RIPK1HPGDALDH1A1KDM4E
SCHEMBL5862818 0.83 BMP1 (0.41) TDP1HPGDALDH1A1NPSR1KMT2A
SCHEMBL3338164 0.82 TDP1 (0.38) TDP1RIPK1HPGDALDH1A1KDM4E
SCHEMBL4425980 0.75 AOC3 (0.40) TDP1KMT2AHTTAOC3
SCHEMBL5336763 0.74 SMN1; SMN2 (0.50) RIPK1ALDH1A1KDM4EMEN1MAPT

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-20100152219-A1 PYRAZOLE DERIVATIVES AS INHIBITORS OF RECEPTOR TYROSINE KINASES ASTRAZENECA R&D (SE) 2010-06-17 US disclosed
US-20070142413-A1 Pyrazole derivatives as inhibitors of receptor tyrosone kinases ASTRAZENECA AB (SE) 2007-06-21 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 (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 TDP1 1537/4885RIPK1 332/4885HPGD 3241/4885
US-20070142413-A1 Pyrazole derivatives as inhibitors of receptor tyrosone kinases PRKDC, MUSK, LTK TDP1 593/4885RIPK1 368/4885HPGD 2769/4885

“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.