SCHEMBL10031316

SCHEMBL10031316

Cc1ccc(Cc2c(OC(C)(C)C)nn(C(C)C)c2C)cc1F

nearest known ligand 0.37

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
SLC5A1 P13866 2/20 0.37
SLC5A2 P31639 2/20 0.37
DAO P14920 1/20 0.33
P2RX3 P56373 2/20 0.32
KCNH2 Q12809 1/20 0.31
TMEM97 Q5BJF2 1/20 0.31
SIGMAR1 Q99720 1/20 0.31
LMNA P02545 1/20 0.30
P2RX7 Q99572 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
SCHEMBL10031317 0.88 CYP17A1 (0.36) SLC5A1SLC5A2P2RX3KCNH2TMEM97
SCHEMBL10064334 0.85 PDE1A (0.38) SLC5A1SLC5A2DAOP2RX3P2RX7
SCHEMBL10031310 0.79 SLC5A1 (0.56) SLC5A1SLC5A2P2RX3LMNA
SCHEMBL14285952 0.75 SLC5A1 (0.43) SLC5A1SLC5A2P2RX3
SCHEMBL14626488 0.74 SLC5A1 (0.45) SLC5A1SLC5A2KCNH2TMEM97SIGMAR1
SCHEMBL2047708 0.73 SLC5A2 (0.72) SLC5A1SLC5A2
SCHEMBL3772111 0.73 SLC5A2 (0.72) SLC5A1SLC5A2
SCHEMBL10064335 0.73 CHRM4 (0.38) SLC5A1SLC5A2P2RX7
SCHEMBL3772106 0.72 SLC5A2 (0.49) SLC5A1SLC5A2
SCHEMBL14285953 0.72 SLC5A2 (0.41) SLC5A1SLC5A2P2RX3P2RX7

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120053330-A1 Chemical Process GLAXOSMITHKLINE LLC 2012-03-01 US 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-20120053330-A1 Chemical Process SLC5A2, SLC5A1, UGGT1 SLC5A1 2/4885SLC5A2 1/4885DAO 1562/4885

“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.