SCHEMBL3272201

SCHEMBL3272201

COC(=O)[C@@](C)(Cc1ccccc1)OC

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP8 P22894 3/20 0.49
PTPN1 P18031 2/20 0.49
PTPN2 P17706 1/20 0.49
PTPRA P18433 1/20 0.49
PTPRB P23467 1/20 0.49
PPARG P37231 1/20 0.49
PPARA Q07869 1/20 0.49
KCNN4 O15554 1/20 0.47
ALDH1A1 P00352 2/20 0.45
RECQL P46063 2/20 0.45
CYP3A4 P08684 2/20 0.45
CYP2C9 P11712 1/20 0.45
CYP2C19 P33261 1/20 0.45
LMNA P02545 2/20 0.44
CYP2D6 P10635 1/20 0.44
SRC P12931 1/20 0.43
CTRB1 P17538 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
HIF1A Q16665 1/20 0.43
CYP1A2 P05177 1/20 0.43

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
SCHEMBL3272206 1.00 MMP8 (0.49) MMP8PTPN1PTPN2PTPRAPTPRB
Ammonia Solution, Strong SCHEMBL27981037 0.98 PTPRB (0.48) MMP8PTPN1PTPN2PTPRAPTPRB
SCHEMBL3272547 0.85 PPARG (0.59) MMP8PTPN1PPARGPPARAALDH1A1
SCHEMBL3272549 0.85 PPARG (0.59) MMP8PTPN1PPARGPPARAALDH1A1
SCHEMBL21811199 0.81 MMP8 (0.51) MMP8PTPN1PTPN2PTPRAPTPRB
SCHEMBL293540 0.81 MMP8 (0.51) MMP8PTPN1PTPN2PTPRAPTPRB
SCHEMBL28420568 0.80 PTPRB (0.54) MMP8PTPN1PTPN2PTPRAPTPRB
SCHEMBL4008616 0.80 MMP8 (0.50) MMP8PTPN1PTPN2PTPRAPTPRB
Ammonia Solution, Strong SCHEMBL9134412 0.80 PTPRB (0.50) MMP8PTPN1PTPN2PTPRAPTPRB
SCHEMBL28294369 0.80 MMP8 (0.50) MMP8PTPN1PTPN2PTPRAPTPRB

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-1735270-B1 DIAMINO ALCOHOLS AND THEIR USE AS RENIN INHIBITORS NOVARTIS AG (CH) 2010-06-30 EP disclosed
US-7718675-B2 Diamino alcohols and their use as renin inhibitor SPEEDEL EXPERIMENTA AG (CH) 2010-05-18 US disclosed
US-20070161622-A1 6-Phenyl-2-hydroxy-1,3-hexanediamine derivatives, e.g., 1-{3(S)-Amino-2(S)-hydroxy-5(S)-[4-methoxy-3-(3-methoxypropoxy)benzyl]-methylheptyl}piperidin-2-one hydrochloride; treating hypertension, heart failure, glaucoma, cardiac infarction, kidney failure and restenosis SPEEDEL EXPERIMENTA AG (CH) 2007-07-12 US disclosed
EP-1735270-A1 DIAMINO ALCOHOLS AND THEIR USE AS RENIN INHIBITORS Speedel Experimenta AG (CH) 2006-12-27 EP disclosed
WO-2005070877-A1 DIAMINO ALCOHOLS AND THEIR USE AS RENIN INHIBITORS SPEEDEL EXPERIMENTA AG (CH) 2005-08-04 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 (1 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-20070161622-A1 6-Phenyl-2-hydroxy-1,3-hexanediamine derivatives, e.g., 1-{3(S)-Amino-2(S)-hydroxy-5(S)-[4-methoxy-3-(3-methoxypropoxy)benzyl]-methylheptyl}piperidin-2-one hydrochloride; treating hypertension, heart failure, glaucoma, cardiac infarction, kidney failure and restenosis REN, AGTR1, AGTR2 MMP8 1292/4885PTPN1 4023/4885PTPN2 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.