SCHEMBL3338985

SCHEMBL3338985

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

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.38
RIPK1 Q13546 2/20 0.37
HPGD P15428 2/20 0.36
ALDH1A1 P00352 2/20 0.35
KDM4E B2RXH2 1/20 0.35
FFAR1 O14842 1/20 0.35
AOC3 Q16853 1/20 0.35
HTT P42858 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
MEN1 O00255 1/20 0.35
MAPT P10636 1/20 0.35
PKM P14618 1/20 0.35
TSHR P16473 1/20 0.35
KMT2A Q03164 1/20 0.35
HDAC3 O15379 1/20 0.34
HDAC4 P56524 1/20 0.34
HDAC1 Q13547 1/20 0.34
HDAC7 Q8WUI4 1/20 0.34
HDAC2 Q92769 1/20 0.34
HDAC10 Q969S8 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
SCHEMBL3340453 1.00 TDP1 (0.38) TDP1RIPK1HPGDALDH1A1KDM4E
SCHEMBL3338164 0.89 TDP1 (0.38) TDP1RIPK1HPGDALDH1A1KDM4E
SCHEMBL531655 0.85 RIPK1 (0.42) RIPK1ALDH1A1KDM4EHTTMEN1
SCHEMBL19305426 0.85 RIPK1 (0.42) RIPK1ALDH1A1KDM4EHTTMEN1
SCHEMBL19305428 0.85 RIPK1 (0.42) RIPK1ALDH1A1KDM4EHTTMEN1
SCHEMBL18222240 0.84 SLC6A4 (0.38) FFAR1MEN1MAPTTSHRKMT2A
SCHEMBL3337824 0.84 TDP1 (0.36) TDP1RIPK1HPGDALDH1A1KDM4E
SCHEMBL15169777 0.82 OPRL1 (0.43) MEN1KMT2AHDAC4HDAC7HDAC5
SCHEMBL17603763 0.82 BMP1 (0.43) TDP1HPGDALDH1A1NPSR1KMT2A
SCHEMBL16633980 0.81 ALDH1A1 (0.41) ALDH1A1

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 1 patent. 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

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-20100152219-A1 PYRAZOLE DERIVATIVES AS INHIBITORS OF RECEPTOR TYROSINE KINASES LTK, ERBB2, ERBB3 TDP1 1537/4885RIPK1 332/4885HPGD 3241/4885

“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.