SCHEMBL3598975

SCHEMBL3598975

Cc1c(C=O)nn(C)c1Oc1cc(O[C@@H](C)C(=O)O)c(Cl)cc1Cl

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.42
ALDH1A1 P00352 3/20 0.42
HPGD P15428 3/20 0.42
HSD17B10 Q99714 2/20 0.42
TSHR P16473 1/20 0.38
HTR2A P28223 1/20 0.38
HTR2C P28335 1/20 0.38
HTR2B P41595 1/20 0.38
MAPT P10636 2/20 0.36
PPARG P37231 3/20 0.33
LMNA P02545 3/20 0.32
CYP2C9 P11712 3/20 0.32
CYP2C19 P33261 3/20 0.32
SMN1; SMN2 Q16637 2/20 0.32
PTGDR2 Q9Y5Y4 2/20 0.31
CYP1A2 P05177 1/20 0.31
PTGDR Q13258 1/20 0.31
KMT2A Q03164 2/20 0.31
MEN1 O00255 1/20 0.31
TDP1 Q9NUW8 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
SCHEMBL3610040 0.89 KDM4E (0.38) KDM4EALDH1A1HPGDHSD17B10TSHR
SCHEMBL3610036 0.89 KDM4E (0.38) KDM4EALDH1A1HPGDHSD17B10TSHR
SCHEMBL3604938 0.86 KDM4E (0.42) KDM4EALDH1A1HPGDHSD17B10TSHR
SCHEMBL3604317 0.86 KDM4E (0.42) KDM4EALDH1A1HPGDHSD17B10TSHR
SCHEMBL3611050 0.85 SMN1; SMN2 (0.48) KDM4EALDH1A1HPGDHSD17B10TSHR
SCHEMBL3597585 0.85 SMN1; SMN2 (0.48) KDM4EALDH1A1HPGDHSD17B10TSHR
SCHEMBL3607710 0.83 KDM4E (0.40) KDM4EALDH1A1HPGDHSD17B10TSHR
SCHEMBL3607110 0.83 KDM4E (0.38) KDM4EALDH1A1HPGDHSD17B10TSHR
SCHEMBL3606945 0.83 KDM4E (0.39) KDM4EALDH1A1HPGDHSD17B10TSHR
SCHEMBL3610172 0.82 ALDH1A1 (0.39) KDM4EALDH1A1HPGDHSD17B10TSHR

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 2049/4885ALDH1A1 365/4885HPGD 380/4885

“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.