SCHEMBL14799096

SCHEMBL14799096

COc1ccc(CN(C)C(=O)O)cc1N(CCN1CCOCC1)S(C)(=O)=O

nearest known ligand 0.48

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.48
MAPK1 P28482 1/20 0.47
UBE2N P61088 1/20 0.47
EP300 Q09472 1/20 0.44
HIF1A Q16665 1/20 0.44
KMT2A Q03164 4/20 0.44
MEN1 O00255 3/20 0.44
TSHR P16473 2/20 0.42
LMNA P02545 1/20 0.42
POLB P06746 1/20 0.42
RXFP1 Q9HBX9 1/20 0.41

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
SCHEMBL14799069 0.88 UBE2N (0.45) ALDH1A1MAPK1UBE2NEP300HIF1A
SCHEMBL14798512 0.83 CYP2D6 (0.47) ALDH1A1KMT2AMEN1POLB
SCHEMBL14799227 0.82 ALDH1A1 (0.45) ALDH1A1MAPK1EP300HIF1AKMT2A
SCHEMBL14799226 0.82 ALDH1A1 (0.48) ALDH1A1MAPK1KMT2AMEN1LMNA
Hydrochloric Acid SCHEMBL14798283 0.82 ALDH1A1 (0.44) ALDH1A1MAPK1EP300HIF1AKMT2A
SCHEMBL14798279 0.81 SMN1; SMN2 (0.49) ALDH1A1KMT2AMEN1
SCHEMBL14798673 0.78 CASR (0.48) ALDH1A1KMT2AMEN1POLB
SCHEMBL14805366 0.78 SMN1; SMN2 (0.43) ALDH1A1MAPK1KMT2AMEN1POLB
SCHEMBL14799078 0.77 ALDH1A1 (0.46) ALDH1A1MAPK1KMT2AMEN1TSHR
SCHEMBL14799094 0.76 ALDH1A1 (0.49) ALDH1A1MAPK1UBE2NEP300HIF1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2760838-B1 DERIVATIVES OF 1-PHENYL-2-PYRIDINYL ALKYL ALCOHOLS AS PHOSPHODIESTERASE INHIBITORS CHIESI FARM SPA (IT) 2017-05-10 EP disclosed
US-9265768-B2 Derivatives of 1-phenyl-2-pyridinyl alkyl alcohols as phosphodiesterase inhibitors CHIESI FARMACEUTICI S.P.A. (IT) 2016-02-23 US disclosed
EP-2760838-A1 DERIVATIVES OF 1-PHENYL-2-PYRIDINYL ALKYL ALCOHOLS AS PHOSPHODIESTERASE INHIBITORS Chiesi Farmaceutici S.p.A. (IT) 2014-08-06 EP disclosed
US-20140142074-A1 DERIVATIVES OF 1-PHENYL-2-PYRIDINYL ALKYL ALCOHOLS AS PHOSPHODIESTERASE INHIBITORS CHIESI FARMACEUTICI S.P.A. (IT) 2014-05-22 US disclosed
WO-2013045280-A1 DERIVATIVES OF 1-PHENYL-2-PYRIDINYL ALKYL ALCOHOLS AS PHOSPHODIESTERASE INHIBITORS CHIESI FARMACEUTICI S.P.A. (IT) 2013-04-04 WO disclosed
US-20130079313-A1 DERIVATIVES OF 1-PHENYL-2-PYRIDINYL ALKYL ALCOHOLS AS PHOSPHODIESTERASE INHIBITORS CHIESI FARMACEUTICI S.P.A. (IT) 2013-03-28 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 (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-20130079313-A1 DERIVATIVES OF 1-PHENYL-2-PYRIDINYL ALKYL ALCOHOLS AS PHOSPHODIESTERASE INHIBITORS PDE4A, PDE4B, PDE3A ALDH1A1 59/4885MAPK1 1285/4885UBE2N 3977/4885
US-20140142074-A1 DERIVATIVES OF 1-PHENYL-2-PYRIDINYL ALKYL ALCOHOLS AS PHOSPHODIESTERASE INHIBITORS PDE4A, PDE4B, PDE3A ALDH1A1 59/4885MAPK1 1285/4885UBE2N 3977/4885

“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.