SCHEMBL17187905

SCHEMBL17187905

CC(C)(C#N)c1cccc2ccc(F)cc12

nearest known ligand 0.37

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ CYP1A2 P05177 2/20 0.37
▸ CYP2A6 P11509 2/20 0.37
▸ IDO1 P14902 2/20 0.34
▸ PTPRC P08575 1/20 0.33
▸ NR3C1 P04150 4/20 0.32
▸ NR3C2 P08235 3/20 0.32
▸ ACHE P22303 1/20 0.31
▸ TYMS P04818 1/20 0.31
▸ KCNJ11 Q14654 1/20 0.30
▸ PGR P06401 1/20 0.30
▸ TRPA1 O75762 1/20 0.30
▸ AHR P35869 1/20 0.30
▸ MPO P05164 1/20 0.30
▸ SLC6A4 P31645 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
SCHEMBL17187806 0.87 CYP1A2 (0.37) CYP1A2CYP2A6IDO1NR3C1NR3C2
SCHEMBL27117088 0.81 CYP1A2 (0.43) CYP1A2CYP2A6IDO1PTPRCNR3C1
SCHEMBL17187828 0.81 CYP2A6 (0.37) CYP1A2CYP2A6PTPRCTYMSAHR
SCHEMBL5644819 0.79 ALDH1A1 (0.40) CYP1A2CYP2A6NR3C1SLC6A4
SCHEMBL17187860 0.78 CYP1A2 (0.44) CYP1A2CYP2A6
SCHEMBL18428139 0.75 CYP1A2 (0.38) CYP1A2CYP2A6IDO1PTPRCNR3C1
SCHEMBL20596846 0.73 NR3C1 (0.34) CYP1A2CYP2A6IDO1PTPRCNR3C1
SCHEMBL3866351 0.73 CA2 (0.34) —
SCHEMBL29700966 0.72 KCNN4 (0.37) SLC6A4
SCHEMBL19924965 0.72 KCNN4 (0.37) SLC6A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3134392-B1 SULFONAMIDE DERIVATIVES AND PHARMACEUTICAL APPLICATIONS THEREOF SUNSHINE LAKE PHARMA CO LTD (CN) 2019-01-02 — — EP disclosed
US-9840482-B2 Sulfonamide derivatives and pharmaceutical applications thereof SUNSHINE LAKE PHARMA CO., LTD. (CN) 2017-12-12 — — US disclosed
EP-3134392-A1 SULFONAMIDE DERIVATIVES AND PHARMACEUTICAL APPLICATIONS THEREOF Sunshine Lake Pharma Co., Ltd. (CN) 2017-03-01 — — EP disclosed
US-20170037017-A1 Sulfonamide Derivatives And Pharmaceutical Applications Thereof SUNSHINE LAKE PHARMA CO., LTD. (CN) 2017-02-09 — — US disclosed
WO-2015158313-A1 SULFONAMIDE DERIVATIVES AND PHARMACEUTICAL APPLICATIONS THEREOF SUNSHINE LAKE PHARMA CO., LTD. (CN) 2015-10-22 — — WO 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-20170037017-A1 Sulfonamide Derivatives And Pharmaceutical Applications Thereof HTR6, SLC6A4, HTR2A CYP1A2 376/4885CYP2A6 26/4885IDO1 717/4885

“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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