SCHEMBL751856

SCHEMBL751856

CC(C)(C)c1ccc(S(=O)(=O)N2CCN(C(=O)c3cccc(C(F)(F)F)c3)CC2)cc1

nearest known ligand 0.61

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.61
POLB P06746 2/20 0.58
LMNA P02545 2/20 0.58
HPGD P15428 1/20 0.58
USP2 O75604 1/20 0.58
GAA P10253 2/20 0.57
TSHR P16473 1/20 0.57
L3MBTL1 Q9Y468 3/20 0.56
TRPV4 Q9HBA0 1/20 0.55
KMT2A Q03164 1/20 0.54
TDP1 Q9NUW8 1/20 0.53
HSD11B1 P28845 1/20 0.53
CNR1 P21554 1/20 0.53
CASP6 P55212 1/20 0.52
CASP8 Q14790 1/20 0.52

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
SCHEMBL734913 0.86 CA12 (0.59) ALDH1A1POLBLMNAUSP2GAA
SCHEMBL735124 0.86 LMNA (0.66) ALDH1A1POLBLMNAHPGDUSP2
SCHEMBL751828 0.84 ALDH1A1 (0.66) ALDH1A1POLBLMNAHPGDGAA
SCHEMBL733442 0.84 CA12 (0.61) ALDH1A1LMNAUSP2GAATSHR
SCHEMBL734826 0.83 KMT2A (0.55) ALDH1A1POLBLMNAUSP2GAA
SCHEMBL753929 0.82 ATM (0.61) ALDH1A1LMNAHPGDUSP2GAA
SCHEMBL752313 0.81 GPR183 (0.65) ALDH1A1POLBLMNAHPGDGAA
SCHEMBL733985 0.80 HTT (0.62) ALDH1A1POLBLMNAUSP2GAA
SCHEMBL753931 0.80 CNR2 (0.58) POLBLMNAGAAL3MBTL1KMT2A
SCHEMBL752734 0.80 L3MBTL1 (0.65) ALDH1A1POLBLMNAHPGDGAA

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 10 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
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 ALDH1A1 655/4885POLB 2253/4885LMNA 2505/4885
US-20070249626-A1 Diaza heterocyclic amide compounds and their uses GPR119, GLP1R, INSR ALDH1A1 655/4885POLB 2253/4885LMNA 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.