SCHEMBL14799094

SCHEMBL14799094

COc1ccc(CN(C)C(=O)O)cc1NS(=O)(=O)CCCN1CCOCC1

nearest known ligand 0.49

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.49
TSHR P16473 2/20 0.45
LMNA P02545 2/20 0.45
UBE2N P61088 1/20 0.45
CYP2D6 P10635 1/20 0.44
CYP2C9 P11712 1/20 0.44
KDM4E B2RXH2 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
PTGER4 P35408 1/20 0.42
MAPK1 P28482 1/20 0.42
EP300 Q09472 1/20 0.41
HIF1A Q16665 1/20 0.41
KMT2A Q03164 1/20 0.41
BCHE P06276 1/20 0.41
ACHE P22303 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
SCHEMBL14799066 0.89 ALDH1A1 (0.46) ALDH1A1TSHRLMNAUBE2NCYP2D6
SCHEMBL14798510 0.83 CYP2D6 (0.53) ALDH1A1TSHRLMNACYP2D6CYP2C9
SCHEMBL14798278 0.81 CYP2C9 (0.53) ALDH1A1TSHRLMNACYP2D6CYP2C9
SCHEMBL14798672 0.78 CYP2D6 (0.48) ALDH1A1TSHRCYP2D6CYP2C9KDM4E
SCHEMBL14799077 0.76 PTGER4 (0.46) ALDH1A1LMNACYP2D6CYP2C9PTGER4
SCHEMBL14799096 0.76 ALDH1A1 (0.48) ALDH1A1TSHRLMNAUBE2NMAPK1
SCHEMBL14798553 0.76 NR3C1 (0.50) ALDH1A1LMNAMAPK1KMT2A
SCHEMBL15754637 0.73 HSD17B10 (0.46) ALDH1A1LMNACYP2D6CYP2C9KDM4E
SCHEMBL15753933 0.73 CYP2C9 (0.49) ALDH1A1TSHRCYP2D6CYP2C9KDM4E
SCHEMBL15753764 0.72 EGFR (0.48) ALDH1A1LMNAKDM4ETDP1MAPK1

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 59/4885TSHR 3555/4885LMNA 1562/4885
US-20140142074-A1 DERIVATIVES OF 1-PHENYL-2-PYRIDINYL ALKYL ALCOHOLS AS PHOSPHODIESTERASE INHIBITORS PDE4A, PDE4B, PDE3A ALDH1A1 59/4885TSHR 3555/4885LMNA 1562/4885

“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.