SCHEMBL1198549

SCHEMBL1198549

CC(C)(C)C(=O)OCc1nc(-c2cccc(C(F)(F)F)c2)cs1

nearest known ligand 0.76

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 4/20 0.76
ALDH1A1 P00352 3/20 0.76
MAPT P10636 3/20 0.67
KDM4E B2RXH2 2/20 0.67
GAA P10253 1/20 0.67
PKM P14618 1/20 0.67
APEX1 P27695 1/20 0.67
RECQL P46063 1/20 0.67
RAB9A P51151 4/20 0.65
NPC1 O15118 3/20 0.65
CASP3 P42574 1/20 0.65
SENP8 Q96LD8 1/20 0.65
SENP7 Q9BQF6 1/20 0.65
SENP6 Q9GZR1 1/20 0.65
TDP1 Q9NUW8 1/20 0.61
MEN1 O00255 3/20 0.60
KMT2A Q03164 3/20 0.60
CFTR P13569 2/20 0.47
PARP1 P09874 1/20 0.45
PPARD Q03181 1/20 0.44

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
SCHEMBL5522127 0.79 RAB9A (0.67) L3MBTL1ALDH1A1MAPTKDM4EGAA
SCHEMBL1197815 0.78 SCN9A (0.59) ALDH1A1MAPTKDM4ECASP3MEN1
SCHEMBL13650613 0.78 AR (0.55) L3MBTL1ALDH1A1KDM4ECASP3MEN1
SCHEMBL1198020 0.78 PTPRB (0.52) L3MBTL1ALDH1A1MAPTKDM4EGAA
SCHEMBL28787238 0.76 ALDH1A1 (0.47) L3MBTL1ALDH1A1KDM4EMEN1KMT2A
SCHEMBL16217975 0.76 MEN1 (0.52) ALDH1A1KDM4ECASP3MEN1KMT2A
SCHEMBL1198302 0.76 MEN1 (0.52) ALDH1A1KDM4ECASP3MEN1KMT2A
SCHEMBL1198026 0.76 MEN1 (0.52) ALDH1A1KDM4ECASP3MEN1KMT2A
SCHEMBL4784274 0.75 RAB9A (0.76) L3MBTL1ALDH1A1MAPTKDM4EGAA
SCHEMBL4726570 0.75 RAB9A (0.76) L3MBTL1ALDH1A1MAPTKDM4EGAA

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8461348-B2 Heterocyclic derivative and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2013-06-11 US disclosed
US-20110028493-A1 HETEROCYCLIC DERIVATIVE AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2011-02-03 US disclosed
EP-2264017-A1 HETEROCYCLIC DERIVATIVE AND USE THEREOF Takeda Pharmaceutical Company Limited (JP) 2010-12-22 EP 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 (1 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-20110028493-A1 HETEROCYCLIC DERIVATIVE AND USE THEREOF PDE3B, PDE5A, PDE2A L3MBTL1 4726/4885ALDH1A1 1037/4885MAPT 4667/4885

“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.