SCHEMBL753799

SCHEMBL753799

C[C@@H]1CN(C(=O)Cc2cccs2)C[C@H](C)N1S(=O)(=O)c1ccc(C(C)(C)C)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.50
LMNA P02545 3/20 0.50
PKM P14618 2/20 0.50
GAA P10253 1/20 0.50
ACHE P22303 1/20 0.49
HTT P42858 1/20 0.47
AURKA O14965 1/20 0.45
KMT2A Q03164 3/20 0.44
HSD11B1 P28845 3/20 0.44
POLB P06746 2/20 0.44
MAPT P10636 2/20 0.44
MEN1 O00255 2/20 0.44
ESR1 P03372 1/20 0.44
ESR2 Q92731 1/20 0.44
CTDSP1 Q9GZU7 1/20 0.44
TDP1 Q9NUW8 1/20 0.43
USP2 O75604 2/20 0.42
TSHR P16473 1/20 0.42
CYP1A2 P05177 1/20 0.42
CYP3A4 P08684 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
SCHEMBL10152899 0.83 PKM (0.50) ALDH1A1LMNAPKMGAAHTT
SCHEMBL752369 0.83 PKM (0.50) ALDH1A1LMNAPKMGAAHTT
SCHEMBL752571 0.83 ACHE (0.53) ALDH1A1PKMGAAACHEKMT2A
SCHEMBL752555 0.82 PKM (0.74) ALDH1A1LMNAPKMGAAHTT
SCHEMBL752589 0.81 HSD11B1 (0.54) ALDH1A1LMNAACHEHTTHSD11B1
SCHEMBL754186 0.80 ACHE (0.58) LMNAGAAACHEKMT2AHSD11B1
SCHEMBL752741 0.79 HSD11B1 (0.53) ALDH1A1LMNAPKMACHEHTT
SCHEMBL751786 0.78 PKM (0.69) ALDH1A1LMNAPKMGAAHTT
SCHEMBL3219797 0.77 ACHE (0.63) LMNAGAAACHEHSD11B1USP2
SCHEMBL13489648 0.72 HSD11B1 (0.53) ACHEHSD11B1TDP1SMN1; 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 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 ALDH1A1 655/4885LMNA 2505/4885PKM 1084/4885
US-20070249626-A1 Diaza heterocyclic amide compounds and their uses GPR119, GLP1R, INSR ALDH1A1 655/4885LMNA 2505/4885PKM 1084/4885

“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.