SCHEMBL3613740

SCHEMBL3613740

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

nearest known ligand 0.34

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 2/20 0.34
PTGDR Q13258 1/20 0.34
LMNA P02545 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
KDM4E B2RXH2 2/20 0.32
ALDH1A1 P00352 2/20 0.32
HSD17B10 Q99714 2/20 0.32
HPGD P15428 1/20 0.32
PPARG P37231 1/20 0.30
PPARD Q03181 1/20 0.30
PPARA Q07869 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 1.00 PTGDR2 (0.34) PTGDR2PTGDRLMNASMN1; SMN2KDM4E
SCHEMBL3617997 0.90 PTGDR2 (0.35) PTGDR2PTGDRLMNASMN1; SMN2KDM4E
SCHEMBL3613878 0.86 ALDH1A1 (0.36) LMNASMN1; SMN2KDM4EALDH1A1HSD17B10
SCHEMBL3613880 0.86 ALDH1A1 (0.36) LMNASMN1; SMN2KDM4EALDH1A1HSD17B10
SCHEMBL3615104 0.86 ALDH1A1 (0.36) LMNASMN1; SMN2KDM4EALDH1A1HSD17B10
SCHEMBL3615098 0.86 ALDH1A1 (0.36) LMNASMN1; SMN2KDM4EALDH1A1HSD17B10
SCHEMBL3601479 0.83 PTGDR2 (0.35) PTGDR2PTGDRLMNASMN1; SMN2KDM4E
SCHEMBL3601471 0.83 PTGDR2 (0.35) PTGDR2PTGDRLMNASMN1; SMN2KDM4E
SCHEMBL3602949 0.82 PTGDR2 (0.35) PTGDR2PTGDRSMN1; SMN2KDM4EALDH1A1
SCHEMBL3599746 0.78 ALDH1A1 (0.40) PTGDR2PTGDRLMNASMN1; SMN2KDM4E

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 1928/4885LMNA 4306/4885

“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.