SCHEMBL12828162

SCHEMBL12828162

Cc1cc(C(C)C)ncc1OC(F)(F)F

nearest known ligand 0.33

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ 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
▸ HRH4 Q9H3N8 4/20 0.33
▸ SCN5A Q14524 1/20 0.33
▸ P2RX3 P56373 1/20 0.31
▸ P2RX2 Q9UBL9 1/20 0.31
▸ AAK1 Q2M2I8 4/20 0.31
▸ PDE2A O00408 1/20 0.31
▸ MAP3K12 Q12852 1/20 0.30
▸ KCNK3 O14649 1/20 0.30
▸ KCNK9 Q9NPC2 1/20 0.30
▸ EGFR P00533 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
SCHEMBL13073948 0.83 PDE2A (0.38) CYP3A4CYP2D6TSHRCRHBPCYP2C19
SCHEMBL18068091 0.83 KCNK3 (0.35) CYP3A4CYP2D6TSHRCRHBPCYP2C19
SCHEMBL12828155 0.81 PGK1 (0.39) CYP3A4CYP2D6TSHRCRHBPCYP2C19
SCHEMBL20642400 0.79 P2RX3 (0.35) CYP3A4CYP2D6TSHRCRHBPCYP2C19
SCHEMBL13073944 0.78 UHRF1 (0.42) SCN5AAAK1
SCHEMBL11951673 0.77 P2RX3 (0.33) P2RX3P2RX2
SCHEMBL23044965 0.75 SCN5A (0.37) HRH4SCN5A
SCHEMBL20642466 0.75 PGK1 (0.36) CYP3A4CYP2C19SCN5A
SCHEMBL19795270 0.75 SCN5A (0.34) SCN5A
SCHEMBL30932094 0.75 SCN5A (0.37) HRH4SCN5A

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 3 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-7915253-B2 4-[2,6-Dimethyl-4-(4-trifluoromethoxy-phenyl)-piperazine-1-sulfonyl]-indan-2-carboxylic acid; peroxisome proliferator activated receptors modulator; antidiabetic, antiinflammatory agent; obesity, hyperinsulinemia, metabolic syndrome X, polycystic ovary syndrome, ischemia-associated organ injury KALYPSYS, INC (US) 2011-03-29 — — US disclosed
US-20090029971-A1 SULFONYL-SUBSTITUTED BICYCLIC COMPOUNDS AS MODULATORS OF PPAR KALYPSYS, INC. (US) 2009-01-29 — — 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 CYP3A4 816/4885CYP2D6 525/4885TSHR 3497/4885
US-20090029971-A1 SULFONYL-SUBSTITUTED BICYCLIC COMPOUNDS AS MODULATORS OF PPAR PPARG, PPARA, PPARD CYP3A4 1506/4885CYP2D6 1262/4885TSHR 262/4885

“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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