SCHEMBL5397116

SCHEMBL5397116

NS(=O)(=O)CCC(c1ccccc1)c1ccc[nH]1

nearest known ligand 0.38

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ SLC6A3 Q01959 3/20 0.36
▸ HRH1 P35367 2/20 0.35
▸ CA2 P00918 5/20 0.35
▸ CA1 P00915 2/20 0.35
▸ CA9 Q16790 2/20 0.35
▸ CA12 O43570 1/20 0.35
▸ CA7 P43166 1/20 0.35
▸ CA5A P35218 1/20 0.34
▸ HTR2A P28223 2/20 0.33
▸ TAAR1 Q96RJ0 1/20 0.33
▸ CNR1 P21554 1/20 0.33

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
SCHEMBL5402628 0.85 SLC6A3 (0.38) SLC6A3HRH1CA2CA1CA9
SCHEMBL7396037 0.81 HRH1 (0.52) HRH1CA2CA1CA9CA12
SCHEMBL5394287 0.73 CYP2C19 (0.37) SLC6A3CA2CA1CA9CA12
SCHEMBL28854086 0.72 TRPA1 (0.38) SLC6A3HRH1HTR2ATAAR1CNR1
SCHEMBL11019672 0.72 TRPA1 (0.38) SLC6A3HRH1HTR2ATAAR1CNR1
SCHEMBL12497701 0.71 GBA1 (0.47) CA2CA1CA9CA5A
SCHEMBL8533233 0.70 GCK (0.47) —
SCHEMBL9203881 0.69 CA2 (0.41) HRH1CA2CA1CA9CA12
SCHEMBL1874636 0.69 CA2 (0.35) HRH1CA2CA1CA9CA12
SCHEMBL1876712 0.69 SLC6A3 (0.40) SLC6A3HRH1CA2CA1CA9

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-7291643-B2 Cyanopyrrole-sulfonamide progesterone receptor modulators and uses thereof WYETH (US) 2007-11-06 — — US disclosed
US-20070027201-A1 Use of progesterone receptor modulators WYETH (US) 2007-02-01 — — US disclosed
US-20070027126-A1 E.g., N-[4-(5-cyano-1-methyl-1H-pyrrol-2-yl)phenyl]propane-1-sulfonamide and tert-butyl 2-cyano-5-{4-{(ethylsulfonyl)amino]phenyl}-1H-pyrrole-1-carboxylate; useful for contraception and hormone replacement therapy WYETH (US) 2007-02-01 — — 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-20070027201-A1 Use of progesterone receptor modulators GNRHR, PGR, FSHR SLC6A3 1949/4885HRH1 588/4885CA2 2247/4885
US-20070027126-A1 E.g., N-[4-(5-cyano-1-methyl-1H-pyrrol-2-yl)phenyl]propane-1-sulfonamide and tert-butyl 2-cyano-5-{4-{(ethylsulfonyl)amino]phenyl}-1H-pyrrole-1-carboxylate; useful for contraception and hormone replacement therapy GNRHR, PGR, PRLHR SLC6A3 3487/4885HRH1 815/4885CA2 2895/4885

“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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