SCHEMBL752838

SCHEMBL752838

CC(O)(c1ccc(S(=O)(=O)N2CCN(C(=O)C3CC3)CC2c2cccnc2)cc1)C(F)(F)F

nearest known ligand 0.56

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 11/20 0.56
ALDH1A1 P00352 3/20 0.49
ADRB2 P07550 3/20 0.49
TSHR P16473 1/20 0.49
USP2 O75604 1/20 0.48
CYP3A4 P08684 2/20 0.48
CYP2C19 P33261 1/20 0.48
MAPT P10636 2/20 0.47
LMNA P02545 1/20 0.47
TP53 P04637 1/20 0.47
MAPK1 P28482 2/20 0.46
HTT P42858 2/20 0.46
SMN1; SMN2 Q16637 1/20 0.45
KMT2A Q03164 1/20 0.45
KCNH2 Q12809 1/20 0.45
RORC P51449 1/20 0.45

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
SCHEMBL13036465 0.84 CYP3A4 (0.68) HSD11B1ALDH1A1ADRB2TSHRUSP2
SCHEMBL11959680 0.84 CYP3A4 (0.68) HSD11B1ALDH1A1ADRB2TSHRUSP2
SCHEMBL734916 0.81 HSD11B1 (0.64) HSD11B1CYP3A4KCNH2
SCHEMBL752389 0.81 HSD11B1 (0.64) HSD11B1CYP3A4KCNH2
SCHEMBL734914 0.81 HSD11B1 (0.64) HSD11B1CYP3A4KCNH2
SCHEMBL734915 0.81 HSD11B1 (0.64) HSD11B1CYP3A4KCNH2
SCHEMBL752401 0.76 CNR1 (0.62) HSD11B1ALDH1A1RORC
SCHEMBL5717083 0.72 CYP3A4 (0.77) ALDH1A1ADRB2TSHRUSP2CYP3A4
SCHEMBL4051367 0.71 HSD11B1 (1.00) HSD11B1CYP3A4KCNH2
SCHEMBL4051364 0.71 HSD11B1 (1.00) HSD11B1CYP3A4KCNH2

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 10 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
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 HSD11B1 2477/4885ALDH1A1 655/4885ADRB2 1415/4885
US-20070249626-A1 Diaza heterocyclic amide compounds and their uses GPR119, GLP1R, INSR HSD11B1 2477/4885ALDH1A1 655/4885ADRB2 1415/4885

“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.