SCHEMBL18068091

SCHEMBL18068091

CC(C)c1cc(C(C)C)c(OC(F)(F)F)cn1

nearest known ligand 0.38

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ KCNK3 O14649 1/20 0.35
▸ KCNK9 Q9NPC2 1/20 0.35
▸ P2RX3 P56373 12/20 0.34
▸ P2RX2 Q9UBL9 12/20 0.34
▸ CYP3A4 P08684 1/20 0.33
▸ CYP2D6 P10635 1/20 0.33
▸ TSHR P16473 1/20 0.33
▸ CRHBP P24387 1/20 0.33
▸ CYP2C19 P33261 1/20 0.33
▸ CRHR2 Q13324 1/20 0.33
▸ APP P05067 1/20 0.32
▸ MAP3K12 Q12852 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
SCHEMBL18068093 0.88 P2RX3 (0.33) P2RX3P2RX2CYP3A4CYP2D6TSHR
SCHEMBL21076511 0.87 KCNK3 (0.33) KCNK3KCNK9P2RX3P2RX2
SCHEMBL13073948 0.83 PDE2A (0.38) P2RX3P2RX2CYP3A4CYP2D6TSHR
SCHEMBL12828162 0.83 CYP3A4 (0.33) KCNK3KCNK9P2RX3P2RX2CYP3A4
SCHEMBL12828155 0.81 PGK1 (0.39) P2RX3P2RX2CYP3A4CYP2D6TSHR
SCHEMBL20642400 0.79 P2RX3 (0.35) KCNK3KCNK9P2RX3P2RX2CYP3A4
SCHEMBL21076633 0.79 KCNK3 (0.33) KCNK3KCNK9P2RX3P2RX2
SCHEMBL21076651 0.79 P2RX3 (0.35) KCNK3KCNK9P2RX3P2RX2
SCHEMBL18068018 0.78 P2RX3 (0.47) P2RX3P2RX2
SCHEMBL18068013 0.77 P2RX3 (0.35) P2RX3P2RX2CYP3A4CYP2D6TSHR

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-20160264567-A1 SUBSTITUTED SULFONAMIDE COMPOUNDS GENENTECH, INC. (US) 2016-09-15 — — 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-20160264567-A1 SUBSTITUTED SULFONAMIDE COMPOUNDS TRPA1, TRPV1, TRPV5 KCNK3 146/4885KCNK9 87/4885P2RX3 32/4885

“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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