SCHEMBL951534

SCHEMBL951534

CCCCOC(=O)NC1CCN(C(=O)OCc2ccccc2)C1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 2/20 0.60
CTSK P43235 2/20 0.54
CTSL P07711 1/20 0.54
CTSB P07858 1/20 0.54
MEN1 O00255 1/20 0.52
KMT2A Q03164 1/20 0.52
SMN1; SMN2 Q16637 3/20 0.51
NPC1 O15118 2/20 0.51
RAB9A P51151 2/20 0.51
CYP2C19 P33261 1/20 0.49
F13A1 P00488 2/20 0.48
TGM2 P21980 2/20 0.48
TGM1 P22735 2/20 0.48
HTT P42858 1/20 0.47
ALDH1A1 P00352 2/20 0.47
GAA P10253 1/20 0.47
DPP4 P27487 2/20 0.47
KCNH2 Q12809 2/20 0.47
DPP7 Q9UHL4 2/20 0.47
ENPP2 Q13822 2/20 0.46

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
SCHEMBL951786 0.96 HSD11B1 (0.63) HSD11B1CTSKCTSLCTSBMEN1
SCHEMBL2734467 0.94 HSD11B1 (0.53) HSD11B1CTSKCTSLCTSBMEN1
SCHEMBL954965 0.94 KMT2A (0.60) HSD11B1CTSKCTSLCTSBMEN1
SCHEMBL29727241 0.89 KMT2A (0.60) HSD11B1CTSKCTSLCTSBMEN1
SCHEMBL1970789 0.89 HSD11B1 (0.64) HSD11B1CTSKCTSLCTSBMEN1
SCHEMBL1970786 0.89 HSD11B1 (0.64) HSD11B1CTSKCTSLCTSBMEN1
SCHEMBL13161203 0.89 HSD11B1 (0.72) HSD11B1CTSKCTSLCTSBMEN1
SCHEMBL13243427 0.88 HSD11B1 (0.69) HSD11B1CTSKCTSLCTSBMEN1
SCHEMBL3333381 0.87 ALDH1A1 (0.51) HSD11B1CTSKCTSLCTSBMEN1
SCHEMBL1191110 0.87 HSD11B1 (0.64) HSD11B1CTSKCTSLCTSBMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8426420-B2 Heterocyclic pyrazole-carboxamidesas P2Y12 antagonists SANOFI (FR) 2013-04-23 US disclosed
EP-2238128-B1 HETEROCYCLIC PYRAZOLE-CARBOXAMIDES AS P2Y12 ANTAGONISTS SANOFI SA (FR) 2012-08-22 EP disclosed
US-20110021537-A1 HETEROCYCLIC PYRAZOLE-CARBOXAMIDESAS P2Y12 ANTAGONISTS SANOFI-AVENTIS (FR) 2011-01-27 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 (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-20110021537-A1 HETEROCYCLIC PYRAZOLE-CARBOXAMIDESAS P2Y12 ANTAGONISTS P2RY1, P2RY12, P2RY11 HSD11B1 4093/4885CTSK 2016/4885CTSL 2634/4885

“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.