SCHEMBL752555

SCHEMBL752555

CC(C)(C)c1ccc(S(=O)(=O)N2CCN(C(=O)Cc3cccs3)CC2)cc1

nearest known ligand 0.75

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PKM P14618 6/20 0.74
ALDH1A1 P00352 4/20 0.74
LMNA P02545 3/20 0.74
GAA P10253 5/20 0.73
HTT P42858 1/20 0.65
KMT2A Q03164 4/20 0.62
TDP1 Q9NUW8 2/20 0.61
POLB P06746 5/20 0.56
CTDSP1 Q9GZU7 3/20 0.53
MEN1 O00255 3/20 0.53
L3MBTL1 Q9Y468 2/20 0.53
BLM P54132 1/20 0.53
ESR2 Q92731 2/20 0.52
USP2 O75604 1/20 0.52
THRB P10828 1/20 0.52
APEX1 P27695 1/20 0.52
RECQL P46063 1/20 0.52
HSD17B10 Q99714 1/20 0.52
MAPT P10636 2/20 0.51
ESR1 P03372 1/20 0.51

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
SCHEMBL751786 0.96 PKM (0.69) PKMALDH1A1LMNAGAAHTT
SCHEMBL10152899 0.82 PKM (0.50) PKMALDH1A1LMNAGAAHTT
SCHEMBL752369 0.82 PKM (0.50) PKMALDH1A1LMNAGAAHTT
SCHEMBL753799 0.82 ALDH1A1 (0.50) PKMALDH1A1LMNAGAAHTT
SCHEMBL732936 0.81 GAA (0.76) PKMALDH1A1LMNAGAAKMT2A
SCHEMBL734971 0.81 GAA (0.72) PKMALDH1A1LMNAGAAHTT
SCHEMBL751775 0.80 GAA (0.59) PKMALDH1A1LMNAGAAKMT2A
SCHEMBL4274692 0.80 TDP1 (0.72) PKMALDH1A1LMNAGAAHTT
SCHEMBL752526 0.80 POLB (0.62) ALDH1A1LMNAGAAKMT2ATDP1
SCHEMBL28819237 0.78 YAP1 (0.65) PKMALDH1A1LMNAGAAKMT2A

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 655/4885LMNA 2505/4885
US-20070249626-A1 Diaza heterocyclic amide compounds and their uses GPR119, GLP1R, INSR PKM 1084/4885ALDH1A1 655/4885LMNA 2505/4885

“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.