SCHEMBL752819

SCHEMBL752819

CC(C)C(=O)N1CCN(S(=O)(=O)c2ccc(C(C)(C)C)cc2)CC1

nearest known ligand 0.62

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PKM P14618 1/20 0.62
LMNA P02545 3/20 0.61
GAA P10253 1/20 0.61
POLB P06746 1/20 0.59
TRPV4 Q9HBA0 1/20 0.58
GPR183 P32249 2/20 0.57
MAOA P21397 1/20 0.56
ALDH1A1 P00352 2/20 0.56
HSD11B1 P28845 8/20 0.56
KMT2A Q03164 2/20 0.55
TSHR P16473 1/20 0.55
MEN1 O00255 1/20 0.54
TDP1 Q9NUW8 1/20 0.54

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
SCHEMBL12169384 0.85 LMNA (0.65) LMNAGAAPOLBGPR183MAOA
SCHEMBL751871 0.85 POLB (0.63) LMNAGAAPOLBTRPV4GPR183
SCHEMBL752834 0.84 LMNA (0.63) LMNAGAAPOLBGPR183MAOA
SCHEMBL751755 0.84 NPC1 (0.74) PKMLMNAGAAPOLBTRPV4
SCHEMBL751828 0.83 ALDH1A1 (0.66) LMNAGAAPOLBTRPV4GPR183
SCHEMBL752526 0.82 POLB (0.62) LMNAGAAPOLBGPR183MAOA
SCHEMBL12550418 0.81 LMNA (0.67) LMNAGAAPOLBGPR183ALDH1A1
SCHEMBL28819237 0.81 YAP1 (0.65) PKMLMNAGAAPOLBGPR183
SCHEMBL30754644 0.81 POLB (0.60) LMNAGAAPOLBGPR183MAOA
SCHEMBL29060791 0.81 TGM2 (0.64) PKMLMNAGAAPOLBGPR183

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 11 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-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 PKM 1084/4885LMNA 2505/4885GAA 517/4885
US-20070249626-A1 Diaza heterocyclic amide compounds and their uses GPR119, GLP1R, INSR PKM 1084/4885LMNA 2505/4885GAA 517/4885

“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.