SCHEMBL3607689

SCHEMBL3607689

C[C@H](Oc1cc(Oc2c(C#N)c(C(F)(F)F)nn2C)c(Cl)cc1Cl)C(=O)O

nearest known ligand 0.38

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CCR1 P32246 2/20 0.38
PTGER4 P35408 1/20 0.37
PTGDR2 Q9Y5Y4 2/20 0.37
PPARG P37231 5/20 0.36
POLB P06746 1/20 0.35
ALDH1A1 P00352 3/20 0.34
LMNA P02545 3/20 0.34
KDM4E B2RXH2 2/20 0.34
HSD17B10 Q99714 2/20 0.34
MAPT P10636 2/20 0.34
HTT P42858 2/20 0.34
NCOA1 Q15788 1/20 0.34
NCOA3 Q9Y6Q9 1/20 0.34
HPGD P15428 1/20 0.34
L3MBTL1 Q9Y468 2/20 0.34
KMT2A Q03164 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
TDP1 Q9NUW8 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
SCHEMBL3610172 0.86 ALDH1A1 (0.39) CCR1PTGER4PTGDR2PPARGPOLB
SCHEMBL3608798 0.86 POLB (0.40) PPARGPOLBALDH1A1KDM4EHSD17B10
SCHEMBL3609425 0.85 KDM4E (0.35) PTGER4PTGDR2PPARGPOLBALDH1A1
SCHEMBL3603328 0.84 PTGER4 (0.34) CCR1PTGER4PTGDR2PPARGALDH1A1
SCHEMBL3603323 0.84 PTGER4 (0.34) CCR1PTGER4PTGDR2PPARGALDH1A1
SCHEMBL3599896 0.83 KDM4E (0.40) CCR1PTGER4PTGDR2PPARGALDH1A1
SCHEMBL3605850 0.83 CYP1A2 (0.38) CCR1PTGER4PTGDR2PPARGALDH1A1
SCHEMBL3603992 0.82 PTGDR2 (0.37) CCR1PTGER4PTGDR2PPARGALDH1A1
SCHEMBL3606216 0.82 ALDH1A1 (0.37) PTGDR2PPARGALDH1A1KDM4EHSD17B10
SCHEMBL3601096 0.82 PTGDR2 (0.36) PTGDR2PPARGALDH1A1KDM4EHSD17B10

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 CCR1 3058/4885PTGER4 2282/4885PTGDR2 2422/4885

“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.