SCHEMBL4962335

SCHEMBL4962335

COC(=O)C(C)(C)c1cccc(C(=O)CCC(=O)O)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR4A2 P43354 1/20 0.47
ALDH1A1 P00352 3/20 0.46
CYP2C19 P33261 2/20 0.46
CYP1A2 P05177 2/20 0.46
HPGD P15428 1/20 0.46
HSD17B10 Q99714 1/20 0.46
ACHE P22303 1/20 0.46
GAA P10253 1/20 0.44
KCNN4 O15554 1/20 0.41
CTNNB1 P35222 2/20 0.41
WNT3A P56704 2/20 0.41
KMT2A Q03164 1/20 0.41
CNR1 P21554 1/20 0.40
CNR2 P34972 1/20 0.40
LMNA P02545 2/20 0.40
KDM4E B2RXH2 1/20 0.40
NR1H4 Q96RI1 1/20 0.40
FFAR1 O14842 1/20 0.40
RAB9A P51151 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40

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
Phenethylamine SCHEMBL4960273 0.89 NR4A2 (0.40) NR4A2ALDH1A1CYP2C19CYP1A2HPGD
SCHEMBL24171989 0.85 ACHE (0.44) ACHEKCNN4CTNNB1WNT3AKMT2A
SCHEMBL31121938 0.85 ACHE (0.44) ACHEKCNN4CTNNB1WNT3AKMT2A
SCHEMBL31121940 0.84 ACHE (0.43) ACHEKCNN4CTNNB1WNT3AKMT2A
SCHEMBL14621794 0.84 ACHE (0.43) ACHEKCNN4CTNNB1WNT3AKMT2A
SCHEMBL24171802 0.84 ACHE (0.43) ALDH1A1ACHEKCNN4CTNNB1WNT3A
SCHEMBL24171986 0.84 ACHE (0.43) ACHEKCNN4CTNNB1WNT3AKMT2A
SCHEMBL4960271 0.82 KMT2A (0.53) NR4A2ALDH1A1CYP2C19CYP1A2HPGD
SCHEMBL15547072 0.80 ELANE (0.52) ALDH1A1CYP2C19CYP1A2HPGDKCNN4
SCHEMBL4960277 0.79 MEN1 (0.39) ALDH1A1HPGDACHEKMT2ARAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1401816-B1 PROCESS FOR THE PRODUCTION OF THE PIPERIDINE DERIVATIVE FEXOFENADINE SANOFI AVENTIS DEUTSCHLAND (DE) 2008-02-13 EP disclosed
US-7235665-B2 Process for the production of piperidine derivatives SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2007-06-26 US disclosed
CN-1229347-C Process for preparing piperidine derivative fexofenadine AVENTIS PHARMA GMBH (DE) 2005-11-30 CN disclosed
US-20040198983-A1 Process for the production of piperidine derivatives AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2004-10-07 US disclosed
CN-1516689-A Process for production of piperidine derivative fexofenadine ������ҽҩ�¹����޹�˾ 2004-07-28 CN disclosed
US-6743941-B2 INCLUDING FEXOFENADINE, USING THE CLAIMED CHEMICAL INTERMEDIATE, P-(2-CARBOXYETHYLCARBONYL)-ALPHA,ALPHA-DIMETHYLPHENYLACETIC ACID, ALKYL ESTER AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2004-06-01 US disclosed
EP-1401816-A1 PROCESS FOR THE PRODUCTION OF THE PIPERIDINE DERIVATIVE FEXOFENADINE Aventis Pharma Deutschland GmbH (DE) 2004-03-31 EP disclosed
US-20030105329-A1 Process for the production of piperidine derivatives SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2003-06-05 US disclosed
WO-2002102776-A1 PROCESS FOR THE PRODUCTION OF THE PIPERIDINE DERIVATIVE FEXOFENADINE AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2002-12-27 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-20030105329-A1 Process for the production of piperidine derivatives HRH2, HRH1, HRH4 NR4A2 1967/4885ALDH1A1 289/4885CYP2C19 16/4885
US-20040198983-A1 Process for the production of piperidine derivatives HRH2, HRH1, HRH4 NR4A2 1967/4885ALDH1A1 289/4885CYP2C19 16/4885

“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.