SCHEMBL3610219

SCHEMBL3610219

Cc1cc(-c2ccc(C#N)cc2)c(O[C@@H](C)C(=O)O)cc1Oc1c(C)c(C)nn1C

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC22A12 Q96S37 3/20 0.46
PTGDR2 Q9Y5Y4 2/20 0.39
TSHR P16473 1/20 0.35
HTR2A P28223 1/20 0.35
HTR2C P28335 1/20 0.35
HTR2B P41595 1/20 0.35
PHGDH O43175 1/20 0.35
CYP11B2 P19099 1/20 0.34
IRAK4 Q9NWZ3 1/20 0.33
KMT2A Q03164 1/20 0.33
FPR2 P25090 1/20 0.33
SCN9A Q15858 1/20 0.33
KDM4E B2RXH2 1/20 0.32
ALDH1A1 P00352 1/20 0.32
GAA P10253 1/20 0.32
HPGD P15428 1/20 0.32
MAP4K4 O95819 1/20 0.32
MINK1 Q8N4C8 1/20 0.32
TNIK Q9UKE5 1/20 0.32
MMP1 P03956 2/20 0.32

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
SCHEMBL3613765 0.89 TSHR (0.38) PTGDR2TSHRHTR2AHTR2CHTR2B
SCHEMBL3610872 0.88 KMT2A (0.42) PTGDR2TSHRHTR2AHTR2CHTR2B
SCHEMBL3598979 0.78 TSHR (0.40) TSHRHTR2AHTR2CHTR2BKMT2A
SCHEMBL3610993 0.78 TSHR (0.45) PTGDR2TSHRHTR2AHTR2CHTR2B
SCHEMBL3602574 0.77 TSHR (0.34) TSHRHTR2AHTR2CHTR2B
SCHEMBL3608530 0.76 TSHR (0.45) PTGDR2TSHRHTR2AHTR2CHTR2B
SCHEMBL3604135 0.76 KDM4E (0.38) TSHRHTR2AHTR2CHTR2BFPR2
SCHEMBL3597546 0.76 TSHR (0.36) TSHRHTR2AHTR2CHTR2BFPR2
SCHEMBL3606063 0.75 PTGDR2 (0.41) SLC22A12PTGDR2TSHRHTR2AHTR2C
SCHEMBL3610759 0.74 POLB (0.39) SLC22A12PTGDR2TSHRHTR2AHTR2C

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 SLC22A12 608/4885PTGDR2 2422/4885TSHR 2023/4885

“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.