SCHEMBL7604595

SCHEMBL7604595

CN1C(=N)N[C@](C)(C2CCCN(S(=O)(=O)c3cccc(F)c3)C2)CC1=O

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.46
KMT2A Q03164 5/20 0.39
MEN1 O00255 3/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
CHRM1 P11229 2/20 0.37
TDP1 Q9NUW8 1/20 0.37
GFER P55789 1/20 0.37
JAK2 O60674 1/20 0.37
JAK1 P23458 1/20 0.37
HTR2A P28223 1/20 0.37
HTR2C P28335 1/20 0.37
KDM4E B2RXH2 1/20 0.36
RAB9A P51151 1/20 0.36

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
SCHEMBL7605496 0.90 LMNA (0.39) KMT2AMEN1SMN1; SMN2JAK2JAK1
SCHEMBL7604944 0.89 LMNA (0.43) SMN1; SMN2
SCHEMBL7599893 0.89 CNR1 (0.44) POLBKMT2AMEN1SMN1; SMN2
SCHEMBL7564364 0.88 SMN1; SMN2 (0.42) KMT2AMEN1SMN1; SMN2GFER
SCHEMBL7573726 0.87 JAK2 (0.39) SMN1; SMN2JAK2JAK1
SCHEMBL7604566 0.86 MEN1 (0.41) KMT2AMEN1SMN1; SMN2
SCHEMBL7600332 0.84 CYP19A1 (0.40) POLBKMT2AMEN1TDP1KDM4E
SCHEMBL7603038 0.84 POLB (0.46) POLBKMT2AMEN1SMN1; SMN2KDM4E
SCHEMBL7600915 0.83 AKR1C3 (0.45) POLBKMT2AMEN1SMN1; SMN2
SCHEMBL7568577 0.81 EPHX2 (0.37) POLBSMN1; SMN2

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
US-20120276118-A1 HETEROCYCLIC ASPARTYL PROTEASE INHIBITORS PHARMACOPEIA INC. (US) 2012-11-01 US disclosed
US-20120231017-A1 HETEROCYCLIC ASPARTYL PROTEASE INHIBITORS PHARMACOPEIA INC. (US) 2012-09-13 US disclosed
US-8183252-B2 Heterocyclic aspartyl protease inhibitors SCHERING CORPORATION (US) 2012-05-22 US disclosed
US-20100292203-A1 HETEROCYCLIC ASPARTYL PROTEASE INHIBITORS SCHERING CORPORATION 2010-11-18 US disclosed
US-20100292203-A1 HETEROCYCLIC ASPARTYL PROTEASE INHIBITORS SCHERING CORPORATION 2010-11-18 US disclosed
WO-2008103351-A2 HETEROCYCLIC ASPARTYL PROTEASE INHIBITORS SCHERING CORPORATION (US) 2008-08-28 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 (3 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-20100292203-A1 HETEROCYCLIC ASPARTYL PROTEASE INHIBITORS CHRM1, CHRM2, PRSS1 POLB 2893/4885KMT2A 4458/4885MEN1 1192/4885
US-20120276118-A1 HETEROCYCLIC ASPARTYL PROTEASE INHIBITORS BACE1, PRSS1, TMPRSS11D POLB 2976/4885KMT2A 3390/4885MEN1 364/4885
US-20120231017-A1 HETEROCYCLIC ASPARTYL PROTEASE INHIBITORS BACE1, PRSS1, TMPRSS11D POLB 2976/4885KMT2A 3390/4885MEN1 364/4885

“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.