SCHEMBL21076511

SCHEMBL21076511

CC(C)c1cc(C(C)CCC(C)c2cc(C(C)C)c(OC(F)(F)F)cn2)ncc1OC(F)(F)F

nearest known ligand 0.35

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ KCNK3 O14649 1/20 0.33
▸ KCNK9 Q9NPC2 1/20 0.33
▸ P2RX3 P56373 4/20 0.32
▸ P2RX2 Q9UBL9 4/20 0.32
▸ AAK1 Q2M2I8 1/20 0.31

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
SCHEMBL18068091 0.87 KCNK3 (0.35) KCNK3KCNK9P2RX3P2RX2
SCHEMBL21076651 0.77 P2RX3 (0.35) KCNK3KCNK9P2RX3P2RX2AAK1
SCHEMBL18068093 0.76 P2RX3 (0.33) P2RX3P2RX2
SCHEMBL21076633 0.74 KCNK3 (0.33) KCNK3KCNK9P2RX3P2RX2
SCHEMBL12828162 0.71 CYP3A4 (0.33) KCNK3KCNK9P2RX3P2RX2AAK1
SCHEMBL13073948 0.71 PDE2A (0.38) P2RX3P2RX2
SCHEMBL20642400 0.71 P2RX3 (0.35) KCNK3KCNK9P2RX3P2RX2AAK1
SCHEMBL12828155 0.70 PGK1 (0.39) P2RX3P2RX2AAK1
SCHEMBL24910207 0.69 RPS6KA3 (0.40) KCNK3KCNK9AAK1
SCHEMBL21076423 0.67 AAK1 (0.31) AAK1

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-10695348-B2 Sulfonyl pyridyl TRP inhibitors GENENTECH, INC. (US) 2020-06-30 — — US disclosed
US-20190167681-A1 SULFONYL PYRIDYL TRP INHIBITORS GENENTECH, INC. (US) 2019-06-06 — — 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 (2 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-10695348-B2 Sulfonyl pyridyl TRP inhibitors TRPA1, TRPV1, TRPV5 KCNK3 122/4885KCNK9 235/4885P2RX3 13/4885
US-20190167681-A1 SULFONYL PYRIDYL TRP INHIBITORS TRPA1, TRPV1, TRPV5 KCNK3 122/4885KCNK9 235/4885P2RX3 13/4885

“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.

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