SCHEMBL14805366

SCHEMBL14805366

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

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.43
CYP2D6 P10635 1/20 0.42
CYP2C9 P11712 1/20 0.42
MEN1 O00255 3/20 0.42
KMT2A Q03164 3/20 0.42
ALDH1A1 P00352 5/20 0.41
KEAP1 Q14145 1/20 0.41
NFE2L2 Q16236 1/20 0.41
TDP1 Q9NUW8 1/20 0.40
MAPT P10636 1/20 0.40
HTT P42858 1/20 0.40
CD274 Q9NZQ7 1/20 0.39
POLB P06746 2/20 0.39
MCOLN3 Q8TDD5 2/20 0.39
MAPK1 P28482 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
Trifluoroacetic Acid SCHEMBL14798406 0.95 KCNJ1 (0.41) SMN1; SMN2CYP2D6CYP2C9MEN1KMT2A
SCHEMBL14798512 0.88 CYP2D6 (0.47) SMN1; SMN2CYP2D6CYP2C9MEN1KMT2A
SCHEMBL14798279 0.85 SMN1; SMN2 (0.49) SMN1; SMN2CYP2D6CYP2C9MEN1KMT2A
SCHEMBL14799226 0.80 ALDH1A1 (0.48) SMN1; SMN2CYP2D6CYP2C9MEN1KMT2A
SCHEMBL14798673 0.80 CASR (0.48) SMN1; SMN2CYP2D6CYP2C9MEN1KMT2A
SCHEMBL14799096 0.78 ALDH1A1 (0.48) MEN1KMT2AALDH1A1POLBMAPK1
SCHEMBL15754710 0.77 TRPM8 (0.47) CYP2D6CYP2C9MEN1KMT2AALDH1A1
SCHEMBL18830685 0.76 CYP2C9 (0.50) SMN1; SMN2CYP2D6CYP2C9KMT2AALDH1A1
Hydrochloric Acid SCHEMBL15754320 0.76 TRPM8 (0.46) CYP2D6CYP2C9MEN1KMT2AALDH1A1
SCHEMBL14799078 0.76 ALDH1A1 (0.46) SMN1; SMN2CYP2C9MEN1KMT2AALDH1A1

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 5 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-20140142074-A1 DERIVATIVES OF 1-PHENYL-2-PYRIDINYL ALKYL ALCOHOLS AS PHOSPHODIESTERASE INHIBITORS CHIESI FARMACEUTICI S.P.A. (IT) 2014-05-22 US 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
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
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 SMN1; SMN2 2568/4885CYP2D6 613/4885CYP2C9 776/4885
US-20140142074-A1 DERIVATIVES OF 1-PHENYL-2-PYRIDINYL ALKYL ALCOHOLS AS PHOSPHODIESTERASE INHIBITORS PDE4A, PDE4B, PDE3A SMN1; SMN2 2568/4885CYP2D6 613/4885CYP2C9 776/4885

“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.