SCHEMBL18068093

SCHEMBL18068093

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

nearest known ligand 0.33

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ P2RX3 P56373 14/20 0.33
▸ P2RX2 Q9UBL9 14/20 0.33
▸ 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
▸ LMNA P02545 1/20 0.32
▸ POLB P06746 1/20 0.30
▸ GAA P10253 1/20 0.30
▸ GFER P55789 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
SCHEMBL18068091 0.88 KCNK3 (0.35) P2RX3P2RX2CYP3A4CYP2D6TSHR
SCHEMBL18068018 0.77 P2RX3 (0.47) P2RX3P2RX2POLBGAAGFER
SCHEMBL21076511 0.76 KCNK3 (0.33) P2RX3P2RX2
SCHEMBL18068013 0.76 P2RX3 (0.35) P2RX3P2RX2CYP3A4CYP2D6TSHR
SCHEMBL18068092 0.74 CYP3A4 (0.32) CYP3A4CYP2D6TSHRCRHBPCYP2C19
SCHEMBL18068089 0.72 CYP3A4 (0.36) CYP3A4CYP2D6TSHRCRHBPCYP2C19
SCHEMBL12796016 0.71 CA1 (0.33) —
SCHEMBL12828162 0.71 CYP3A4 (0.33) P2RX3P2RX2CYP3A4CYP2D6TSHR
SCHEMBL13073948 0.71 PDE2A (0.38) P2RX3P2RX2CYP3A4CYP2D6TSHR
SCHEMBL20642431 0.70 P2RX3 (0.31) P2RX3P2RX2

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-10179782-B2 Substituted sulfonamide compounds GENENTECH, INC. (US) 2019-01-15 — — US disclosed
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 (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-10179782-B2 Substituted sulfonamide compounds TRPA1, TRPV1, TRPV5 P2RX3 32/4885P2RX2 27/4885CYP3A4 816/4885
US-20160264567-A1 SUBSTITUTED SULFONAMIDE COMPOUNDS TRPA1, TRPV1, TRPV5 P2RX3 32/4885P2RX2 27/4885CYP3A4 816/4885

“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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