SCHEMBL3617997

SCHEMBL3617997

C[C@H](Oc1cc(Sc2c(C=O)c(C3CC3)nn2C)c(Cl)cc1Cl)C(=O)O

nearest known ligand 0.35

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 2/20 0.35
PTGDR Q13258 1/20 0.35
ALDH1A1 P00352 3/20 0.35
KDM4E B2RXH2 2/20 0.35
HSD17B10 Q99714 2/20 0.35
HPGD P15428 2/20 0.35
PPARG P37231 2/20 0.32
PPARD Q03181 2/20 0.32
PPARA Q07869 2/20 0.32
TSHR P16473 1/20 0.31
HTR2A P28223 1/20 0.31
HTR2C P28335 1/20 0.31
HTR2B P41595 1/20 0.31
FABP1 P07148 1/20 0.31
NR1H4 Q96RI1 1/20 0.31
GAA P10253 2/20 0.31
SMN1; SMN2 Q16637 2/20 0.31
LMNA P02545 1/20 0.30

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
SCHEMBL3613745 0.90 PTGDR2 (0.34) PTGDR2PTGDRALDH1A1KDM4EHSD17B10
SCHEMBL3613740 0.90 PTGDR2 (0.34) PTGDR2PTGDRALDH1A1KDM4EHSD17B10
SCHEMBL3606243 0.86 ALDH1A1 (0.40) PTGDR2PTGDRALDH1A1KDM4EHSD17B10
SCHEMBL3599746 0.86 ALDH1A1 (0.40) PTGDR2PTGDRALDH1A1KDM4EHSD17B10
SCHEMBL3602949 0.84 PTGDR2 (0.35) PTGDR2PTGDRALDH1A1KDM4EHSD17B10
SCHEMBL3598852 0.82 PTGDR2 (0.37) PTGDR2PTGDRALDH1A1KDM4EHSD17B10
SCHEMBL3606716 0.79 ALDH1A1 (0.37) PTGDR2ALDH1A1KDM4EHSD17B10HPGD
SCHEMBL3613878 0.77 ALDH1A1 (0.36) ALDH1A1KDM4EHSD17B10HPGDPPARG
SCHEMBL3613880 0.77 ALDH1A1 (0.36) ALDH1A1KDM4EHSD17B10HPGDPPARG
SCHEMBL3615104 0.77 ALDH1A1 (0.36) ALDH1A1KDM4EHSD17B10HPGDPPARG

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 1928/4885ALDH1A1 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.