SCHEMBL752369

SCHEMBL752369

C[C@@H]1CN(S(=O)(=O)c2ccc(C(C)(C)C)cc2)C[C@H](C)N1C(=O)Cc1cccs1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PKM P14618 3/20 0.50
ALDH1A1 P00352 3/20 0.50
GAA P10253 2/20 0.50
LMNA P02545 2/20 0.50
POLB P06746 4/20 0.48
KMT2A Q03164 4/20 0.48
CTDSP1 Q9GZU7 3/20 0.48
MEN1 O00255 3/20 0.48
ESR2 Q92731 2/20 0.48
ESR1 P03372 1/20 0.48
MAPT P10636 1/20 0.48
HSD11B1 P28845 4/20 0.46
L3MBTL1 Q9Y468 2/20 0.45
BLM P54132 1/20 0.45
HTT P42858 1/20 0.45
USP2 O75604 2/20 0.44
THRB P10828 1/20 0.44
APEX1 P27695 1/20 0.44
RECQL P46063 1/20 0.44
HSD17B10 Q99714 1/20 0.44

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
SCHEMBL10152899 1.00 PKM (0.50) PKMALDH1A1GAALMNAPOLB
SCHEMBL753799 0.83 ALDH1A1 (0.50) PKMALDH1A1GAALMNAPOLB
SCHEMBL751891 0.83 ALDH1A1 (0.51) PKMALDH1A1GAALMNAPOLB
SCHEMBL762993 0.83 ALDH1A1 (0.51) PKMALDH1A1GAALMNAPOLB
SCHEMBL752555 0.82 PKM (0.74) PKMALDH1A1GAALMNAPOLB
SCHEMBL763799 0.80 HSD11B1 (0.53) ALDH1A1GAALMNAPOLBKMT2A
SCHEMBL751898 0.80 HSD11B1 (0.53) ALDH1A1GAALMNAPOLBKMT2A
SCHEMBL751786 0.78 PKM (0.69) PKMALDH1A1GAALMNAPOLB
SCHEMBL10152898 0.71 HSD11B1 (0.53) GAALMNAKMT2AMEN1MAPT
SCHEMBL753807 0.71 HSD11B1 (0.53) GAALMNAKMT2AMEN1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170234881-A1 METHODS OF DIAGNOSING AND TREATING CANCER INSERM (INSTITUT NATIONAL DE LA SANTE ET DE LA RECHERCHE MEDICALE) (FR) 2017-08-17 US disclosed
US-20170234881-A1 METHODS OF DIAGNOSING AND TREATING CANCER INSERM (INSTITUT NATIONAL DE LA SANTE ET DE LA RECHERCHE MEDICALE) (FR) 2017-08-17 US disclosed
WO-2016034742-A1 METHODS OF DIAGNOSING AND TREATING CANCER INSERM (Institut National de la Santé et de la Recherche Médicale) (FR) 2016-03-10 WO disclosed
US-8138190-B2 Diaza heterocyclic amide compounds and their uses AMGEN INC. (US) 2012-03-20 US disclosed
US-8138190-B2 Diaza heterocyclic amide compounds and their uses AMGEN INC. (US) 2012-03-20 US disclosed
US-20090176768-A1 DIAZA HETEROCYCLIC AMIDE COMPOUNDS AND THEIR USES AMGEN INC. 2009-07-09 US disclosed
US-20090176768-A1 DIAZA HETEROCYCLIC AMIDE COMPOUNDS AND THEIR USES AMGEN INC. 2009-07-09 US disclosed
US-7524848-B2 Diaza heterocyclic amide compounds and their uses AMGEN INC. (US) 2009-04-28 US disclosed
US-7524848-B2 Diaza heterocyclic amide compounds and their uses AMGEN INC. (US) 2009-04-28 US disclosed
US-20070249626-A1 Diaza heterocyclic amide compounds and their uses AMGEN INC. 2007-10-25 US disclosed
US-20070249626-A1 Diaza heterocyclic amide compounds and their uses AMGEN INC. 2007-10-25 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-20090176768-A1 DIAZA HETEROCYCLIC AMIDE COMPOUNDS AND THEIR USES GPR119, GLP1R, INSR PKM 1084/4885ALDH1A1 655/4885GAA 517/4885
US-20070249626-A1 Diaza heterocyclic amide compounds and their uses GPR119, GLP1R, INSR PKM 1084/4885ALDH1A1 655/4885GAA 517/4885

“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.