SCHEMBL733442

SCHEMBL733442

CC(C)(C)c1ccc(S(=O)(=O)N2CCN(C(=O)c3cccc([N+](=O)[O-])c3)CC2)cc1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.61
CA1 P00915 1/20 0.61
CA2 P00918 1/20 0.61
CA7 P43166 1/20 0.61
CA9 Q16790 1/20 0.61
CA14 Q9ULX7 1/20 0.61
RXFP1 Q9HBX9 1/20 0.60
HSD11B1 P28845 2/20 0.56
KMT2A Q03164 3/20 0.55
MEN1 O00255 1/20 0.55
KDM4E B2RXH2 1/20 0.55
SMN1; SMN2 Q16637 2/20 0.53
MAPT P10636 1/20 0.53
MAPK1 P28482 1/20 0.53
USP2 O75604 1/20 0.52
ALDH1A1 P00352 3/20 0.52
LMNA P02545 2/20 0.52
HTT P42858 1/20 0.52
GAA P10253 1/20 0.52
TSHR P16473 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
SCHEMBL751826 0.87 HSD11B1 (0.67) CA12CA1CA2CA7CA9
SCHEMBL751856 0.84 ALDH1A1 (0.61) HSD11B1KMT2AUSP2ALDH1A1LMNA
SCHEMBL734913 0.84 CA12 (0.59) CA12CA1CA2CA7CA9
SCHEMBL735124 0.83 LMNA (0.66) HSD11B1KMT2AMEN1SMN1; SMN2USP2
SCHEMBL751828 0.81 ALDH1A1 (0.66) HSD11B1KMT2AMEN1SMN1; SMN2MAPT
SCHEMBL753929 0.79 ATM (0.61) CA12CA1CA2CA7CA9
SCHEMBL752313 0.79 GPR183 (0.65) HSD11B1KMT2AMEN1SMN1; SMN2ALDH1A1
SCHEMBL734826 0.78 KMT2A (0.55) HSD11B1KMT2AMEN1SMN1; SMN2USP2
SCHEMBL753931 0.78 CNR2 (0.58) HSD11B1KMT2AMEN1MAPTLMNA
SCHEMBL752734 0.77 L3MBTL1 (0.65) KMT2AMEN1SMN1; SMN2MAPTALDH1A1

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 16 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-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-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-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
US-20070249626-A1 Diaza heterocyclic amide compounds and their uses AMGEN INC. 2007-10-25 US disclosed
WO-2007111921-A1 1-PHENYLSULFONYL-DIAZA HETEROCYCLIC AMIDE COMPOUNDS AND THEIR USES AS MODULATORS OF HYDROXSTEROID DEHYDROGENASES AMGEN INC. (US) 2007-10-04 WO 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 CA12 3695/4885CA1 4139/4885CA2 3620/4885
US-20070249626-A1 Diaza heterocyclic amide compounds and their uses GPR119, GLP1R, INSR CA12 3695/4885CA1 4139/4885CA2 3620/4885

“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.