SCHEMBL4396332

SCHEMBL4396332

Cc1nc(-c2ccc(S(=O)(=O)N(C)C[C@H]3CC[C@H](CNC(=O)O)CC3)s2)cs1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 9/20 0.52
MAPT P10636 6/20 0.49
POLB P06746 1/20 0.44
PKM P14618 1/20 0.41
PFKFB3 Q16875 1/20 0.40
PFKFB4 Q16877 1/20 0.40
USP30 Q70CQ3 1/20 0.40
MEN1 O00255 1/20 0.39
NPC1 O15118 1/20 0.39
KMT2A Q03164 1/20 0.39
IRS1 P35568 1/20 0.38
GAB1 Q13480 1/20 0.38
ALDH1A1 P00352 1/20 0.38
MAPK1 P28482 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
PRNP P04156 1/20 0.38
RXFP1 Q9HBX9 1/20 0.38
CCKBR P32239 1/20 0.38
RAB9A P51151 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37

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
SCHEMBL4396333 1.00 KDM4E (0.52) KDM4EMAPTPOLBPKMPFKFB3
SCHEMBL4390252 0.89 KDM4E (0.64) KDM4EMAPTPOLBPKMPFKFB3
SCHEMBL4390253 0.89 KDM4E (0.64) KDM4EMAPTPOLBPKMPFKFB3
SCHEMBL13590710 0.89 KDM4E (0.57) KDM4EMAPTPOLBPKMPFKFB3
SCHEMBL4390080 0.84 MAPT (0.67) KDM4EMAPTPOLBPKMPFKFB3
SCHEMBL4390076 0.84 MAPT (0.67) KDM4EMAPTPOLBPKMPFKFB3
SCHEMBL13590711 0.78 KDM4E (0.56) KDM4EMAPTPOLBPFKFB3PFKFB4
SCHEMBL13768167 0.78 KDM4E (0.67) KDM4EMAPTPOLBPKMPFKFB3
SCHEMBL13590689 0.73 KDM4E (0.75) KDM4EMAPTPOLBPKMPFKFB3
SCHEMBL14056263 0.72 KDM4E (0.56) KDM4EMAPTPOLBPKMPFKFB3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090306133-A1 New Acetyl Coenzyme A Carboxylase (ACC) Inhibitors And Uses In Treatments Of Obesity And Diabetes Mellitus - 087 ASTRAZENECA AB (SE) 2009-12-10 US claimed
US-20090306133-A1 New Acetyl Coenzyme A Carboxylase (ACC) Inhibitors And Uses In Treatments Of Obesity And Diabetes Mellitus - 087 ASTRAZENECA AB (SE) 2009-12-10 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-20090306133-A1 New Acetyl Coenzyme A Carboxylase (ACC) Inhibitors And Uses In Treatments Of Obesity And Diabetes Mellitus - 087 ACACA, ACACB, ACAT1 KDM4E 1761/4885MAPT 2312/4885POLB 1032/4885

“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.