SCHEMBL734974

SCHEMBL734974

CC(C)(C)c1ccc(S(=O)(=O)N2CCNCC2CO)cc1

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 8/20 0.48
LMNA P02545 2/20 0.45
GAA P10253 1/20 0.45
ALDH1A1 P00352 2/20 0.44
POLB P06746 1/20 0.44
BRD4 O60885 1/20 0.43
BRD2 P25440 1/20 0.43
MMP1 P03956 1/20 0.43
MMP3 P08254 1/20 0.43
MMP7 P09237 1/20 0.43
MMP9 P14780 1/20 0.43
MMP13 P45452 1/20 0.43
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
ALOX5AP P20292 1/20 0.42
FEN1 P39748 1/20 0.42
ACHE P22303 1/20 0.42
HPGD P15428 1/20 0.42

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
SCHEMBL14538037 0.86 ALDH1A1 (0.46) LMNAALDH1A1POLBMMP1MMP3
SCHEMBL14325344 0.84 HSD11B1 (0.46) HSD11B1LMNAALDH1A1MMP1MMP3
SCHEMBL16430559 0.83 ALOX5AP (0.48) ALDH1A1MMP1MMP3MMP7MMP9
SCHEMBL12169368 0.81 BRD4 (0.63) HSD11B1LMNAGAAALDH1A1BRD4
SCHEMBL12406627 0.80 BRD4 (0.58) HSD11B1LMNAGAAALDH1A1BRD4
SCHEMBL1618700 0.77 PKM (0.60) LMNAALDH1A1MEN1KMT2AALOX5AP
SCHEMBL732932 0.75 LMNA (0.71) HSD11B1LMNAGAAALDH1A1POLB
SCHEMBL6301308 0.75 PKM (0.45) POLBMMP1MMP3MMP7MMP9
SCHEMBL1087766 0.75 ALOX5AP (0.36) LMNAMMP1MMP3MMP7MMP9
SCHEMBL17886762 0.73 HPGD (0.59) LMNAGAAALDH1A1MEN1KMT2A

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 23 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8461156-B2 Modulators of ATP-binding cassette transporters VERTEX PHARMACEUTICALS INCORPORATED (US) 2013-06-11 US disclosed
US-20120322798-A1 Modulators of ATP-Binding Cassette Transporters VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-12-20 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-8138190-B2 Diaza heterocyclic amide compounds and their uses AMGEN INC. (US) 2012-03-20 US disclosed
US-7825122-B2 Diaza heterocyclic sulfonamide derivatives and their uses AMGEN INC. (US) 2010-11-02 US disclosed
US-7825122-B2 Diaza heterocyclic sulfonamide derivatives and their uses AMGEN INC. (US) 2010-11-02 US disclosed
US-7825122-B2 Diaza heterocyclic sulfonamide derivatives and their uses AMGEN INC. (US) 2010-11-02 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
EP-2004619-A1 1-PHENYLSULFONYL-DIAZA HETEROCYCLIC AMIDE COMPOUNDS AND THEIR USES AS MODULATORS OF HYDROXSTEROID DEHYDROGENASES Amgen Inc. (US) 2008-12-24 EP 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
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
US-20070173494-A1 Diaza heterocyclic sulfonamide derivatives and their uses AMGEN INC. 2007-07-26 US disclosed
US-20070173494-A1 Diaza heterocyclic sulfonamide derivatives and their uses AMGEN INC. 2007-07-26 US disclosed
US-20070173494-A1 Diaza heterocyclic sulfonamide derivatives and their uses AMGEN INC. 2007-07-26 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 (4 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-20070173494-A1 Diaza heterocyclic sulfonamide derivatives and their uses GLP1R, GPR119, INSR HSD11B1 685/4885LMNA 2635/4885GAA 963/4885
US-20090176768-A1 DIAZA HETEROCYCLIC AMIDE COMPOUNDS AND THEIR USES GPR119, GLP1R, INSR HSD11B1 2477/4885LMNA 2505/4885GAA 517/4885
US-20070249626-A1 Diaza heterocyclic amide compounds and their uses GPR119, GLP1R, INSR HSD11B1 2477/4885LMNA 2505/4885GAA 517/4885
US-20120322798-A1 Modulators of ATP-Binding Cassette Transporters CFTR, ABCB1, ABCC2 HSD11B1 1899/4885LMNA 3485/4885GAA 339/4885

“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.