SCHEMBL3615024

SCHEMBL3615024

Cc1cc(B2OC(C)(C)C(C)(C)O2)c(O[C@@H](C)C(=O)O)cc1Oc1c(C)c(C)nn1C

nearest known ligand 0.34

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.34
HTR2A P28223 1/20 0.34
HTR2C P28335 1/20 0.34
HTR2B P41595 1/20 0.34
TDP1 Q9NUW8 1/20 0.30
KDM4E B2RXH2 1/20 0.30
ALDH1A1 P00352 1/20 0.30
HPGD P15428 1/20 0.30
HSD17B10 Q99714 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
SCHEMBL3610993 0.79 TSHR (0.45) TSHRHTR2AHTR2CHTR2BTDP1
SCHEMBL3598979 0.79 TSHR (0.40) TSHRHTR2AHTR2CHTR2BTDP1
SCHEMBL3608530 0.77 TSHR (0.45) TSHRHTR2AHTR2CHTR2BTDP1
SCHEMBL3606063 0.76 PTGDR2 (0.41) TSHRHTR2AHTR2CHTR2BTDP1
SCHEMBL3610872 0.76 KMT2A (0.42) TSHRHTR2AHTR2CHTR2BTDP1
SCHEMBL3604938 0.75 KDM4E (0.42) TSHRHTR2AHTR2CHTR2BTDP1
SCHEMBL3604317 0.75 KDM4E (0.42) TSHRHTR2AHTR2CHTR2BTDP1
SCHEMBL3613765 0.74 TSHR (0.38) TSHRHTR2AHTR2CHTR2BTDP1
SCHEMBL3602574 0.72 TSHR (0.34) TSHRHTR2AHTR2CHTR2B
SCHEMBL3610219 0.72 SLC22A12 (0.46) TSHRHTR2AHTR2CHTR2BKDM4E

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 TSHR 2023/4885HTR2A 4427/4885HTR2C 3943/4885

“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.