SCHEMBL735462

SCHEMBL735462

COCC1CN(C(=O)C2CC2)CCN1S(=O)(=O)c1ccc(C(C)(C)C)cc1

nearest known ligand 0.48

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.48
KMT2A Q03164 3/20 0.48
MMP1 P03956 1/20 0.47
MMP3 P08254 1/20 0.47
MMP7 P09237 1/20 0.47
MMP9 P14780 1/20 0.47
MMP13 P45452 1/20 0.47
ALDH1A1 P00352 2/20 0.47
PKM P14618 1/20 0.47
HSD11B1 P28845 7/20 0.43
CNR1 P21554 1/20 0.41
LMNA P02545 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
TSHR P16473 1/20 0.40

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
SCHEMBL733595 0.88 ALDH1A1 (0.49) MEN1KMT2AMMP1MMP3MMP7
SCHEMBL752543 0.82 CNR1 (0.53) MEN1KMT2AMMP1MMP3MMP7
SCHEMBL12169352 0.79 CASP3 (0.57) ALDH1A1HSD11B1
SCHEMBL12169355 0.79 CASP3 (0.57) ALDH1A1HSD11B1
SCHEMBL751885 0.78 CNR1 (0.61) MMP1MMP3MMP7MMP9MMP13
SCHEMBL751747 0.76 CNR1 (0.69) MEN1KMT2AALDH1A1PKMHSD11B1
SCHEMBL3612336 0.73 HSD11B1 (0.71) MEN1KMT2AALDH1A1HSD11B1LMNA
SCHEMBL752406 0.72 NPC1 (0.64) ALDH1A1PKMHSD11B1CNR1LMNA
SCHEMBL751867 0.72 ALDH1A1 (0.73) ALDH1A1PKMHSD11B1CNR1L3MBTL1
SCHEMBL735184 0.72 L3MBTL1 (0.70) MEN1KMT2AALDH1A1PKMHSD11B1

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 MEN1 989/4885KMT2A 531/4885MMP1 3977/4885
US-20070249626-A1 Diaza heterocyclic amide compounds and their uses GPR119, GLP1R, INSR MEN1 989/4885KMT2A 531/4885MMP1 3977/4885

“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.