SCHEMBL3575498

SCHEMBL3575498

C[C@H](NC(=O)c1c(NS(C)(=O)=O)c(-c2ccccc2)nc2ccccc12)C1CCCCC1

nearest known ligand 0.63

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
TACR3 P29371 16/20 0.63
TACR2 P21452 8/20 0.60
OPRM1 P35372 5/20 0.60
CYP2C9 P11712 2/20 0.60
NTRK1 P04629 1/20 0.48
SMYD3 Q9H7B4 1/20 0.47

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
SCHEMBL1581137 0.86 TACR3 (0.62) TACR3TACR2OPRM1CYP2C9NTRK1
SCHEMBL8266273 0.85 TACR3 (0.66) TACR3TACR2OPRM1CYP2C9
SCHEMBL1581261 0.85 TACR3 (0.68) TACR3TACR2OPRM1CYP2C9
SCHEMBL5425877 0.84 CYP2C9 (0.75) TACR3TACR2OPRM1CYP2C9NTRK1
SCHEMBL3591373 0.83 TACR3 (0.70) TACR3CYP2C9
SCHEMBL3591378 0.83 TACR3 (0.70) TACR3CYP2C9
SCHEMBL8193060 0.83 TACR3 (0.63) TACR3TACR2OPRM1CYP2C9NTRK1
SCHEMBL1581422 0.83 TACR3 (0.63) TACR3TACR2OPRM1CYP2C9NTRK1
SCHEMBL1581136 0.83 TACR3 (0.66) TACR3TACR2OPRM1CYP2C9
SCHEMBL13677125 0.82 TACR3 (0.59) TACR3TACR2OPRM1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080293765-A1 Alkylsulphonamide Quinolines ASTRAZENECA AB (SE) 2008-11-27 US claimed
US-20080021062-A1 Alkylsulphonamide Quinolines ASTRAZENECA AB (SE) 2008-01-24 US claimed
US-8071621-B2 Alkylsulphonamide quinolines ASTRAZENECA AB (SE) 2011-12-06 US disclosed
US-8071621-B2 Alkylsulphonamide quinolines ASTRAZENECA AB (SE) 2011-12-06 US disclosed
US-8071621-B2 Alkylsulphonamide quinolines ASTRAZENECA AB (SE) 2011-12-06 US disclosed
US-20100029717-A1 Alkylsulphonamide Quinolines SIMPSON THOMAS 2010-02-04 US disclosed
US-20100029717-A1 Alkylsulphonamide Quinolines SIMPSON THOMAS 2010-02-04 US disclosed
US-20100029717-A1 Alkylsulphonamide Quinolines SIMPSON THOMAS 2010-02-04 US disclosed
US-7608628-B2 Alkylsulphonamide quinolines ASTRAZENECA AB (SE) 2009-10-27 US disclosed
US-20080293765-A1 Alkylsulphonamide Quinolines ASTRAZENECA AB (SE) 2008-11-27 US disclosed
US-20080293765-A1 Alkylsulphonamide Quinolines ASTRAZENECA AB (SE) 2008-11-27 US disclosed
US-20080293765-A1 Alkylsulphonamide Quinolines ASTRAZENECA AB (SE) 2008-11-27 US disclosed
EP-1968944-A1 ALKYLSULPHONAMIDE QUINOLINES AstraZeneca AB (SE) 2008-09-17 EP disclosed
US-20080021062-A1 Alkylsulphonamide Quinolines ASTRAZENECA AB (SE) 2008-01-24 US disclosed
WO-2007069977-A1 ALKYLSULPHONAMIDE QUINOLINES ASTRAZENECA AB (SE) 2007-06-21 WO disclosed
WO-2007069977-A1 ALKYLSULPHONAMIDE QUINOLINES ASTRAZENECA AB (SE) 2007-06-21 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 (3 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-20080021062-A1 Alkylsulphonamide Quinolines RECQL, NQO2, H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16 TACR3 1038/4885TACR2 730/4885OPRM1 222/4885
US-20080293765-A1 Alkylsulphonamide Quinolines RECQL, NQO2, QDPR TACR3 673/4885TACR2 581/4885OPRM1 165/4885
US-20100029717-A1 Alkylsulphonamide Quinolines RECQL, NQO2, QDPR TACR3 673/4885TACR2 581/4885OPRM1 165/4885

“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.