SCHEMBL10190187

SCHEMBL10190187

COC(=O)c1ccc(SC2CN(C(=O)OC(C)(C)C)C2)cc1

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NR1H2 P55055 1/20 0.43
USP30 Q70CQ3 2/20 0.43
HDAC1 Q13547 1/20 0.43
HDAC6 Q9UBN7 1/20 0.43
GPR119 Q8TDV5 3/20 0.42
PDE4B Q07343 1/20 0.41
KMT2A Q03164 2/20 0.41
NAMPT P43490 1/20 0.41
MMP1 P03956 2/20 0.41
MMP9 P14780 2/20 0.41
MMP3 P08254 1/20 0.41
MMP7 P09237 1/20 0.41
PKM P14618 1/20 0.41
TP53 P04637 1/20 0.40
MAPT P10636 1/20 0.40
THRB P10828 1/20 0.40
ALDH1A1 P00352 1/20 0.40
MMP13 P45452 1/20 0.40
MEN1 O00255 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
SCHEMBL322089 0.86 USP30 (0.45) NR1H2USP30GPR119KMT2ANAMPT
SCHEMBL26966923 0.83 ESR2 (0.46) NR1H2USP30GPR119PDE4BKMT2A
SCHEMBL322113 0.83 TSHR (0.43) KMT2ANAMPTMAPTALDH1A1MEN1
SCHEMBL16422836 0.82 HDAC1 (0.47) NR1H2USP30HDAC1GPR119KMT2A
SCHEMBL17541949 0.82 NR1H2 (0.47) NR1H2HDAC1GPR119PDE4BNAMPT
SCHEMBL12284229 0.82 RORC (0.48) NR1H2USP30GPR119NAMPT
SCHEMBL10190197 0.82 KMT2A (0.58) GPR119KMT2AMAPTALDH1A1MEN1
SCHEMBL15212446 0.82 RORC (0.50) NR1H2USP30GPR119NAMPTPKM
SCHEMBL8053119 0.81 PDE4B (0.48) NR1H2USP30HDAC1HDAC6PDE4B
SCHEMBL18361382 0.79 ALDH1A1 (0.57) NR1H2USP30HDAC1HDAC6GPR119

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2590969-B1 Therapeutic agents 976 ASTRAZENECA AB (SE) 2014-10-15 EP disclosed
US-8546375-B2 (3-(4-(aminomethyl)phenoxy or phenylthio)azetidin-1-yl)(5-phenyl-1,3,4-oxadiazol-2-yl)methanone compounds ASTRAZENECA AB (SE) 2013-10-01 US disclosed
US-8546375-B2 (3-(4-(aminomethyl)phenoxy or phenylthio)azetidin-1-yl)(5-phenyl-1,3,4-oxadiazol-2-yl)methanone compounds ASTRAZENECA AB (SE) 2013-10-01 US disclosed
US-20120010189-A1 (3-(4-(AMINOMETHYL)PHENOXY OR PHENYLTHIO)AZETIDIN-1-YL)(5-PHENYL-1,3,4-OXADIAZOL-2-YL)METHANONE COMPOUNDS ASTRAZENECA AB (SE) 2012-01-12 US disclosed
US-20120010189-A1 (3-(4-(AMINOMETHYL)PHENOXY OR PHENYLTHIO)AZETIDIN-1-YL)(5-PHENYL-1,3,4-OXADIAZOL-2-YL)METHANONE COMPOUNDS ASTRAZENECA AB (SE) 2012-01-12 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 (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-20120010189-A1 (3-(4-(AMINOMETHYL)PHENOXY OR PHENYLTHIO)AZETIDIN-1-YL)(5-PHENYL-1,3,4-OXADIAZOL-2-YL)METHANONE COMPOUNDS TYR, MC2R, MC1R NR1H2 972/4885USP30 2750/4885HDAC1 3608/4885

“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.