SCHEMBL3934832

SCHEMBL3934832

C[C@@](O)(C(=O)O)c1cccc(F)c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNN4 O15554 5/20 0.53
HDAC1 Q13547 2/20 0.43
HDAC6 Q9UBN7 2/20 0.43
HDAC3 O15379 1/20 0.43
HDAC2 Q92769 1/20 0.43
CES2 O00748 1/20 0.42
CES1 P23141 1/20 0.42
CYP1A2 P05177 1/20 0.41
CYP2C19 P33261 1/20 0.41
CYP19A1 P11511 1/20 0.41
PARP1 P09874 1/20 0.40
EDNRB P24530 1/20 0.39
EDNRA P25101 1/20 0.39
MDM4 O15151 1/20 0.39
TP53 P04637 1/20 0.39
MDM2 Q00987 1/20 0.39
NPC1 O15118 1/20 0.39
HTT P42858 1/20 0.39
RAB9A P51151 1/20 0.39
ACHE P22303 1/20 0.39

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
SCHEMBL4941607 1.00 KCNN4 (0.53) KCNN4HDAC1HDAC6HDAC3HDAC2
SCHEMBL1827704 1.00 KCNN4 (0.53) KCNN4HDAC1HDAC6HDAC3HDAC2
SCHEMBL21229775 0.87 KCNN4 (0.55) KCNN4HDAC1HDAC6HDAC3HDAC2
SCHEMBL1492782 0.83 KCNN4 (0.55) KCNN4HDAC1HDAC6HDAC3HDAC2
SCHEMBL14815251 0.81 CES2 (0.52) CES2TP53HTTRAB9A
SCHEMBL9044136 0.81 KCNN4 (0.53) KCNN4HDAC1HDAC6HDAC3HDAC2
SCHEMBL31560818 0.81 KCNN4 (0.53) KCNN4HDAC1HDAC6HDAC3HDAC2
SCHEMBL524825 0.81 KCNN4 (0.56) KCNN4HDAC1HDAC6CES2CES1
SCHEMBL29798769 0.81 KCNN4 (0.56) KCNN4HDAC1HDAC6CES2CES1
SCHEMBL27588944 0.81 RXRA (0.50) HDAC6HDAC3HDAC2CYP1A2CYP2C19

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
US-20090306062-A1 2,5-Disubstituted Piperidines NOVARTIS AG (CH) 2009-12-10 US disclosed
WO-2009106599-A2 SUBSTITUTED PIPERIDINES AS THERAPEUTIC COMPOUNDS NOVARTIS AG (CH) 2009-09-03 WO disclosed
EP-2044059-A1 2,5-DISUBSTITUTED PIPERIDINES Speedel Experimenta AG (CH) 2009-04-08 EP disclosed
EP-1578910-A4 NITRILASES VERENIUM CORP (US) 2008-06-04 EP disclosed
WO-2007141318-A1 2,5-DISUBSTITUTED PIPERIDINES SPEEDEL EXPERIMENTA AG (CH) 2007-12-13 WO disclosed
EP-1578910-A2 NITRILASES DIVERSA CORPORATION (US) 2005-09-28 EP disclosed
WO-2003000840-A2 NITRILASES DIVERSA CORPORATION (US) 2003-01-03 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 (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-20090306062-A1 2,5-Disubstituted Piperidines REN, AGTR1, AGTR2 KCNN4 580/4885HDAC1 845/4885HDAC6 1982/4885

“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.