SCHEMBL11197943

SCHEMBL11197943

CC(C)[C@H](Nc1ccc(C(C)(C)C)cc1)C(=O)O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR1H4 Q96RI1 4/20 0.50
DGAT1 O75907 1/20 0.47
EPHX2 P34913 1/20 0.46
SLC1A2 P43004 1/20 0.46
MAPT P10636 2/20 0.44
ALDH1A1 P00352 1/20 0.44
NPC1 O15118 2/20 0.44
RAB9A P51151 2/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
MEN1 O00255 1/20 0.44
XBP1 P17861 1/20 0.44
MAPK1 P28482 1/20 0.44
HTT P42858 1/20 0.44
KMT2A Q03164 1/20 0.44
KIF11 P52732 1/20 0.44
FPR2 P25090 1/20 0.43
HDAC3 O15379 1/20 0.42
HDAC11 Q96DB2 1/20 0.42
HDAC8 Q9BY41 1/20 0.42
HDAC6 Q9UBN7 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
SCHEMBL11197937 1.00 NR1H4 (0.50) NR1H4DGAT1EPHX2SLC1A2MAPT
SCHEMBL9442663 0.85 MMP2 (0.56) EPHX2SLC1A2MAPTALDH1A1NPC1
SCHEMBL1259765 0.85 MMP2 (0.56) EPHX2SLC1A2MAPTALDH1A1NPC1
SCHEMBL11072569 0.85 MMP2 (0.56) EPHX2SLC1A2MAPTALDH1A1NPC1
SCHEMBL30007225 0.82 NR1H4 (0.53) NR1H4EPHX2MAPTALDH1A1NPC1
SCHEMBL26687939 0.82 NR1H4 (0.53) NR1H4EPHX2MAPTALDH1A1NPC1
SCHEMBL11196494 0.80 ADAMTS4 (0.51) NR1H4MAPTALDH1A1SMN1; SMN2MEN1
SCHEMBL11193286 0.80 MMP9 (0.51) SLC1A2MAPTNPC1RAB9ASMN1; SMN2
SCHEMBL11193293 0.80 MMP9 (0.51) SLC1A2MAPTNPC1RAB9ASMN1; SMN2
SCHEMBL11196490 0.80 ADAMTS4 (0.51) NR1H4MAPTALDH1A1SMN1; SMN2MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9249163-B2 PDE10a inhibitors for the treatment of type II diabetes JANSSEN PHARMACEUTICA NV. (BE) 2016-02-02 US disclosed
US-20140364414-A1 PDE 10a Inhibitors for the Treatment of Type II Diabetes JANSSEN PHARMACEUTICA, NV (BE) 2014-12-11 US disclosed
US-4411912-A Insecticidal isovaleric acid esters ZOECON CORPORATION (US) 1983-10-25 US disclosed
US-4243819-A Substituted amino acids ZOECON CORPORATION (US) 1981-01-06 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-20140364414-A1 PDE 10a Inhibitors for the Treatment of Type II Diabetes PDE2A, PDE3B, PDE3A NR1H4 3147/4885DGAT1 1073/4885EPHX2 1488/4885

“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.