SCHEMBL4065435

SCHEMBL4065435

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

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 1/20 0.42
HDAC4 P56524 1/20 0.42
HDAC1 Q13547 1/20 0.42
HDAC7 Q8WUI4 1/20 0.42
HDAC2 Q92769 1/20 0.42
HDAC10 Q969S8 1/20 0.42
HDAC11 Q96DB2 1/20 0.42
HDAC8 Q9BY41 1/20 0.42
HDAC6 Q9UBN7 1/20 0.42
HDAC9 Q9UKV0 1/20 0.42
HDAC5 Q9UQL6 1/20 0.42
GBA1 P04062 2/20 0.41
CNR2 P34972 1/20 0.41
ANPEP P15144 1/20 0.40
ALDH1A1 P00352 2/20 0.39
KDM4E B2RXH2 1/20 0.39
DPP4 P27487 2/20 0.38
HTT P42858 2/20 0.38
SLC6A9 P48067 1/20 0.38
MAPT P10636 1/20 0.38

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
SCHEMBL15663752 1.00 HDAC3 (0.42) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL4065437 1.00 HDAC3 (0.42) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL3343976 0.84 TSHR (0.43) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL3343979 0.84 TSHR (0.43) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL1231373 0.84 LMNA (0.45) CNR2ANPEPALDH1A1
SCHEMBL1206387 0.83 GBA1 (0.51) GBA1
SCHEMBL14861146 0.83 GBA1 (0.51) GBA1
SCHEMBL14861144 0.83 GBA1 (0.51) GBA1
SCHEMBL20491257 0.82 CYP2C9 (0.46) HDAC4HDAC7HDAC5CNR2ALDH1A1
Hydrochloric Acid SCHEMBL9716119 0.81 GBA1 (0.50) GBA1

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
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

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-20070142413-A1 Pyrazole derivatives as inhibitors of receptor tyrosone kinases PRKDC, MUSK, LTK HDAC3 1236/4885HDAC4 2069/4885HDAC1 1175/4885

“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.