SCHEMBL3602949

SCHEMBL3602949

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

nearest known ligand 0.35

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 2/20 0.35
PTGDR Q13258 1/20 0.35
ALDH1A1 P00352 4/20 0.32
KDM4E B2RXH2 2/20 0.32
HSD17B10 Q99714 2/20 0.32
HPGD P15428 2/20 0.32
EIF4EBP1 Q13541 3/20 0.32
TDP1 Q9NUW8 2/20 0.32
L3MBTL1 Q9Y468 2/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
GRM2 Q14416 1/20 0.31
TSHR P16473 1/20 0.31
HTR2A P28223 1/20 0.31
HTR2C P28335 1/20 0.31
HTR2B P41595 1/20 0.31
GAA P10253 2/20 0.30
SMN1; SMN2 Q16637 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
SCHEMBL3601746 0.86 ALDH1A1 (0.37) PTGDR2ALDH1A1KDM4EHSD17B10HPGD
SCHEMBL3615618 0.86 ALDH1A1 (0.37) PTGDR2ALDH1A1KDM4EHSD17B10HPGD
SCHEMBL3617997 0.84 PTGDR2 (0.35) PTGDR2PTGDRALDH1A1KDM4EHSD17B10
SCHEMBL3601096 0.82 PTGDR2 (0.36) PTGDR2PTGDRALDH1A1KDM4EHSD17B10
SCHEMBL3613740 0.82 PTGDR2 (0.34) PTGDR2PTGDRALDH1A1KDM4EHSD17B10
SCHEMBL3613745 0.82 PTGDR2 (0.34) PTGDR2PTGDRALDH1A1KDM4EHSD17B10
SCHEMBL3605174 0.76 ALDH1A1 (0.40) PTGDR2PTGDRALDH1A1KDM4EHSD17B10
SCHEMBL3611899 0.76 TDP1 (0.35) ALDH1A1TDP1L3MBTL1MEN1KMT2A
SCHEMBL3599634 0.75 ALDH1A1 (0.39) ALDH1A1KDM4EHSD17B10HPGDMEN1
SCHEMBL3610769 0.74 SMN1; SMN2 (0.35) ALDH1A1HPGDTDP1L3MBTL1TSHR

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.