SCHEMBL752755

SCHEMBL752755

CC(C)(C)c1ccc(S(=O)(=O)N2CCCN(C(=O)Cc3cccc(Cl)c3)CC2)cc1

nearest known ligand 0.58

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 5/20 0.58
GAA P10253 3/20 0.53
PKM P14618 1/20 0.53
GPR183 P32249 1/20 0.51
LMNA P02545 2/20 0.49
ALDH1A1 P00352 4/20 0.48
HSP90AA1 P07900 1/20 0.48
KMT2A Q03164 1/20 0.48
HSD11B1 P28845 2/20 0.47
TSHR P16473 1/20 0.47
MAPK1 P28482 1/20 0.47
KDM4E B2RXH2 1/20 0.47

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
SCHEMBL735495 0.88 GAA (0.69) CNR1GAAPKMLMNAALDH1A1
SCHEMBL732936 0.83 GAA (0.76) CNR1GAAPKMGPR183LMNA
SCHEMBL752831 0.82 PKM (0.58) CNR1GAAPKMLMNAALDH1A1
SCHEMBL4273804 0.81 CNR1 (0.82) CNR1GAAPKMALDH1A1HSP90AA1
SCHEMBL734913 0.78 CA12 (0.59) GAAGPR183LMNAALDH1A1KMT2A
SCHEMBL751786 0.78 PKM (0.69) GAAPKMLMNAALDH1A1KMT2A
SCHEMBL751775 0.77 GAA (0.59) CNR1GAAPKMGPR183LMNA
SCHEMBL752546 0.77 PKM (0.63) CNR1GAAPKMALDH1A1KMT2A
SCHEMBL12550418 0.76 LMNA (0.67) GAAGPR183LMNAALDH1A1KMT2A
SCHEMBL28819237 0.76 YAP1 (0.65) GAAPKMGPR183LMNAALDH1A1

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 7 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

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-20090176768-A1 DIAZA HETEROCYCLIC AMIDE COMPOUNDS AND THEIR USES GPR119, GLP1R, INSR CNR1 281/4885GAA 517/4885PKM 1084/4885

“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.