SCHEMBL3602255

SCHEMBL3602255

Cc1nn(C)c(Oc2cc(O[C@@H](C)C(=O)O)c(Cl)cc2Cl)c1CCS(N)(=O)=O

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.38
L3MBTL1 Q9Y468 2/20 0.38
ALDH1A1 P00352 5/20 0.37
KMT2A Q03164 1/20 0.37
SMN1; SMN2 Q16637 3/20 0.36
LMNA P02545 2/20 0.36
HTT P42858 2/20 0.36
GPBAR1 Q8TDU6 5/20 0.36
HSD17B10 Q99714 2/20 0.35
HPGD P15428 1/20 0.35
GAA P10253 1/20 0.35
TSHR P16473 1/20 0.34
HTR2A P28223 1/20 0.34
HTR2C P28335 1/20 0.34
HTR2B P41595 1/20 0.34
SHMT2 P34897 1/20 0.34
PPARG P37231 2/20 0.32
PTGDR2 Q9Y5Y4 1/20 0.32
MAPT P10636 1/20 0.31
TTR P02766 1/20 0.31

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
SCHEMBL3606155 0.87 KDM4E (0.40) KDM4EL3MBTL1ALDH1A1KMT2ASMN1; SMN2
SCHEMBL3596021 0.87 KDM4E (0.40) KDM4EL3MBTL1ALDH1A1KMT2ASMN1; SMN2
SCHEMBL3602322 0.86 KDM4E (0.40) KDM4EL3MBTL1ALDH1A1KMT2ASMN1; SMN2
SCHEMBL3609797 0.85 KDM4E (0.39) KDM4EL3MBTL1ALDH1A1KMT2ASMN1; SMN2
SCHEMBL3608007 0.85 KDM4E (0.39) KDM4EL3MBTL1ALDH1A1KMT2AGPBAR1
SCHEMBL3605184 0.85 KDM4E (0.43) KDM4EL3MBTL1ALDH1A1KMT2ASMN1; SMN2
SCHEMBL3610789 0.85 KDM4E (0.43) KDM4EL3MBTL1ALDH1A1KMT2ASMN1; SMN2
SCHEMBL3609981 0.85 KDM4E (0.39) KDM4EL3MBTL1ALDH1A1KMT2AGPBAR1
SCHEMBL3605192 0.84 KDM4E (0.39) KDM4EL3MBTL1ALDH1A1KMT2AGPBAR1
SCHEMBL3601502 0.83 KDM4E (0.40) KDM4EL3MBTL1ALDH1A1KMT2AGPBAR1

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 KDM4E 2049/4885L3MBTL1 3563/4885ALDH1A1 365/4885

“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.