SCHEMBL4960271

SCHEMBL4960271

COC(=O)C(C)(C)c1ccc(C(=O)CCC(=O)O)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.53
USP5 P45974 1/20 0.49
NR4A2 P43354 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.47
LMNA P02545 3/20 0.47
CYP1A2 P05177 2/20 0.47
RAB9A P51151 2/20 0.47
FFAR1 O14842 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
HIF1A Q16665 1/20 0.47
ALDH1A1 P00352 4/20 0.47
HSD17B10 Q99714 2/20 0.47
CYP2C19 P33261 2/20 0.47
HPGD P15428 1/20 0.47
PDE4B Q07343 1/20 0.46
ALOX15 P16050 1/20 0.45
APEX1 P27695 1/20 0.45
MAPK1 P28482 1/20 0.45
RECQL P46063 1/20 0.45
TDP1 Q9NUW8 1/20 0.45

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 SCHEMBL4962587 0.86 RAB9A (0.47) KMT2AUSP5NR4A2L3MBTL1LMNA
SCHEMBL27518661 0.86 USP5 (0.47) KMT2AUSP5NR4A2L3MBTL1LMNA
SCHEMBL12139296 0.84 ALDH1A1 (0.45) KMT2AL3MBTL1LMNARAB9ASMN1; SMN2
SCHEMBL4622882 0.83 ALDH1A1 (0.44) L3MBTL1LMNARAB9AALDH1A1HSD17B10
SCHEMBL4962335 0.82 NR4A2 (0.47) KMT2ANR4A2LMNACYP1A2RAB9A
SCHEMBL1502354 0.82 ALDH1A1 (0.43) L3MBTL1LMNARAB9AALDH1A1HSD17B10
SCHEMBL1502465 0.82 ALDH1A1 (0.43) L3MBTL1LMNARAB9AALDH1A1HSD17B10
SCHEMBL4686360 0.82 ALDH1A1 (0.43) L3MBTL1LMNARAB9AALDH1A1HSD17B10
SCHEMBL28698668 0.81 ALDH1A1 (0.47) KMT2ALMNARAB9ASMN1; SMN2HIF1A
SCHEMBL28370678 0.81 GSK3B (0.54) KMT2ALMNARAB9ASMN1; SMN2ALDH1A1

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
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
US-20040198983-A1 Process for the production of piperidine derivatives AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2004-10-07 US 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 KMT2A 59/4885USP5 636/4885NR4A2 1967/4885
US-20040198983-A1 Process for the production of piperidine derivatives HRH2, HRH1, HRH4 KMT2A 59/4885USP5 636/4885NR4A2 1967/4885

“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.