SCHEMBL751828

SCHEMBL751828

CC(C)(C)c1ccc(C(=O)N2CCN(S(=O)(=O)c3ccc(C(C)(C)C)cc3)CC2)cc1

nearest known ligand 0.66

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.66
MEN1 O00255 1/20 0.66
HTT P42858 1/20 0.66
KMT2A Q03164 1/20 0.66
SMN1; SMN2 Q16637 1/20 0.66
HPGD P15428 3/20 0.64
ALOX15 P16050 1/20 0.64
LMNA P02545 3/20 0.63
MAPT P10636 1/20 0.62
GAA P10253 1/20 0.61
MAPK1 P28482 1/20 0.59
L3MBTL1 Q9Y468 1/20 0.59
POLB P06746 1/20 0.59
TRPV4 Q9HBA0 1/20 0.58
GPR183 P32249 1/20 0.57
HSD11B1 P28845 1/20 0.56
CASP6 P55212 1/20 0.55

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
SCHEMBL751716 0.95 LMNA (0.72) ALDH1A1MEN1HTTKMT2ASMN1; SMN2
SCHEMBL752323 0.95 LMNA (0.72) ALDH1A1MEN1HTTKMT2ASMN1; SMN2
SCHEMBL735124 0.93 LMNA (0.66) ALDH1A1MEN1HTTKMT2ASMN1; SMN2
SCHEMBL752734 0.92 L3MBTL1 (0.65) ALDH1A1MEN1HTTKMT2ASMN1; SMN2
SCHEMBL7073997 0.91 F10 (0.61) ALDH1A1MEN1HTTKMT2ASMN1; SMN2
SCHEMBL751728 0.91 ALDH1A1 (0.67) ALDH1A1MEN1HTTKMT2ASMN1; SMN2
SCHEMBL751826 0.90 HSD11B1 (0.67) ALDH1A1MEN1HTTKMT2ASMN1; SMN2
SCHEMBL752367 0.89 CYP3A4 (0.64) ALDH1A1MEN1HTTKMT2ASMN1; SMN2
SCHEMBL752313 0.89 GPR183 (0.65) ALDH1A1MEN1HTTKMT2ASMN1; SMN2
Acetic Acid SCHEMBL27552343 0.88 F10 (0.58) ALDH1A1MEN1HTTKMT2ASMN1; SMN2

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 ALDH1A1 655/4885MEN1 989/4885HTT 954/4885
US-20070249626-A1 Diaza heterocyclic amide compounds and their uses GPR119, GLP1R, INSR ALDH1A1 655/4885MEN1 989/4885HTT 954/4885

“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.