SCHEMBL3599331

SCHEMBL3599331

COC(=O)[C@H](C)Oc1cc(Oc2c(/C=C/C(=O)O)c(C)nn2C)c(Cl)cc1Cl

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.46
ALDH1A1 P00352 5/20 0.42
GAA P10253 2/20 0.42
SMN1; SMN2 Q16637 5/20 0.37
MAPT P10636 6/20 0.36
NR2F2 P24468 1/20 0.36
HTT P42858 1/20 0.36
CYP1A2 P05177 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35
GPBAR1 Q8TDU6 4/20 0.33
SHMT2 P34897 1/20 0.33
LMNA P02545 1/20 0.33
KDM4E B2RXH2 3/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33

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
SCHEMBL3599339 1.00 L3MBTL1 (0.46) L3MBTL1ALDH1A1GAASMN1; SMN2MAPT
SCHEMBL3593355 0.83 L3MBTL1 (0.37) L3MBTL1ALDH1A1GAASMN1; SMN2MAPT
SCHEMBL3593349 0.83 L3MBTL1 (0.37) L3MBTL1ALDH1A1GAASMN1; SMN2MAPT
SCHEMBL3604696 0.82 PPOX (0.39) L3MBTL1ALDH1A1GAASMN1; SMN2MAPT
SCHEMBL3604699 0.82 PPOX (0.39) L3MBTL1ALDH1A1GAASMN1; SMN2MAPT
SCHEMBL3616131 0.82 L3MBTL1 (0.52) L3MBTL1ALDH1A1GAASMN1; SMN2MAPT
SCHEMBL3616135 0.82 L3MBTL1 (0.52) L3MBTL1ALDH1A1GAASMN1; SMN2MAPT
SCHEMBL3607755 0.81 L3MBTL1 (0.37) L3MBTL1ALDH1A1GAASMN1; SMN2MAPT
SCHEMBL3607759 0.81 L3MBTL1 (0.37) L3MBTL1ALDH1A1GAASMN1; SMN2MAPT
SCHEMBL3597585 0.81 SMN1; SMN2 (0.48) L3MBTL1ALDH1A1SMN1; SMN2MAPTNR2F2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100016396-A1 PYRAZOLE COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-01-21 US disclosed
EP-2128138-A1 PYRAZOLE COMPOUND Takeda Pharmaceutical Company Limited (JP) 2009-12-02 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-20100016396-A1 PYRAZOLE COMPOUND SLC5A1, SLC5A2, GLP1R L3MBTL1 3563/4885ALDH1A1 365/4885GAA 405/4885

“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.