SCHEMBL3607638

SCHEMBL3607638

Cc1nn(C)c(Oc2cc(O[C@@H](C)C(=O)O)c(Cl)cc2Cl)c1CC1CCCCC1

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 2/20 0.39
PTGDR Q13258 1/20 0.39
GPBAR1 Q8TDU6 10/20 0.37
SHMT2 P34897 1/20 0.37
PPOX P50336 1/20 0.35
KDM4E B2RXH2 3/20 0.35
ALDH1A1 P00352 2/20 0.35
HSD17B10 Q99714 2/20 0.35
HPGD P15428 1/20 0.35
P2RX3 P56373 2/20 0.33
TSHR P16473 1/20 0.33
HTR2A P28223 1/20 0.33
HTR2C P28335 1/20 0.33
HTR2B P41595 1/20 0.33
L3MBTL1 Q9Y468 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
SCHEMBL3605184 0.84 KDM4E (0.43) GPBAR1SHMT2KDM4EALDH1A1HSD17B10
SCHEMBL3608007 0.84 KDM4E (0.39) PTGDR2GPBAR1SHMT2KDM4EALDH1A1
SCHEMBL3609981 0.84 KDM4E (0.39) PTGDR2GPBAR1SHMT2KDM4EALDH1A1
SCHEMBL3610789 0.84 KDM4E (0.43) GPBAR1SHMT2KDM4EALDH1A1HSD17B10
SCHEMBL3605192 0.83 KDM4E (0.39) PTGDR2GPBAR1SHMT2KDM4EALDH1A1
SCHEMBL3596021 0.82 KDM4E (0.40) GPBAR1SHMT2KDM4EALDH1A1HSD17B10
SCHEMBL3606155 0.82 KDM4E (0.40) PTGDR2GPBAR1SHMT2KDM4EALDH1A1
SCHEMBL3601502 0.82 KDM4E (0.40) PTGDR2GPBAR1SHMT2KDM4EALDH1A1
SCHEMBL3605013 0.82 SHMT2 (0.35) GPBAR1SHMT2
SCHEMBL3602322 0.82 KDM4E (0.40) GPBAR1SHMT2KDM4EALDH1A1HSD17B10

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 PTGDR2 2422/4885PTGDR 1928/4885GPBAR1 730/4885

“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.