SCHEMBL751863

SCHEMBL751863

CC(C)(C)c1ccc(S(=O)(=O)N2CCN(C(=O)CCC3CCCC3)CC2)cc1

nearest known ligand 0.76

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ATM Q13315 2/20 0.76
SMN1; SMN2 Q16637 2/20 0.71
CNR1 P21554 1/20 0.61
CNR2 P34972 1/20 0.61
ALDH1A1 P00352 1/20 0.60
LMNA P02545 2/20 0.56
MAPK1 P28482 1/20 0.56
HSD11B1 P28845 4/20 0.55
GAA P10253 1/20 0.54
EPHX2 P34913 1/20 0.54
POLB P06746 1/20 0.53
MEN1 O00255 1/20 0.53
KMT2A Q03164 1/20 0.53
GPR183 P32249 1/20 0.49

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
SCHEMBL735587 0.89 CNR2 (0.60) ATMSMN1; SMN2CNR2ALDH1A1LMNA
SCHEMBL751874 0.82 POLB (0.60) ATMALDH1A1LMNAHSD11B1GAA
SCHEMBL752526 0.81 POLB (0.62) ALDH1A1LMNAHSD11B1GAAPOLB
SCHEMBL751867 0.81 ALDH1A1 (0.73) CNR1ALDH1A1HSD11B1EPHX2
SCHEMBL30754644 0.80 POLB (0.60) ALDH1A1LMNAHSD11B1GAAPOLB
SCHEMBL28819237 0.80 YAP1 (0.65) ALDH1A1LMNAHSD11B1GAAPOLB
SCHEMBL752727 0.80 POLB (0.54) ATMSMN1; SMN2ALDH1A1LMNAHSD11B1
SCHEMBL752692 0.80 ALDH1A1 (0.75) CNR1CNR2ALDH1A1LMNAGAA
SCHEMBL751755 0.78 NPC1 (0.74) SMN1; SMN2ALDH1A1LMNAHSD11B1GAA
SCHEMBL751873 0.78 POLB (0.58) ALDH1A1LMNAHSD11B1GAAPOLB

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 ATM 2128/4885SMN1; SMN2 2605/4885CNR1 281/4885
US-20070249626-A1 Diaza heterocyclic amide compounds and their uses GPR119, GLP1R, INSR ATM 2128/4885SMN1; SMN2 2605/4885CNR1 281/4885

“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.