SCHEMBL2964374

SCHEMBL2964374

CN(C)c1ccc2ccccc2c1S([O])(=O)=O

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CHEK1 O14757 1/20 0.39
▸ NEK2 P51955 1/20 0.39
▸ LIMK1 P53667 1/20 0.39
▸ DYRK1A Q13627 1/20 0.39
▸ CLK4 Q9HAZ1 1/20 0.39
▸ MCL1 Q07820 1/20 0.39
▸ TDP1 Q9NUW8 3/20 0.38
▸ CYP2A6 P11509 2/20 0.38
▸ ALDH1A1 P00352 1/20 0.38
▸ TSHR P16473 1/20 0.38
▸ HSD17B10 Q99714 1/20 0.38
▸ EP300 Q09472 1/20 0.38
▸ KAT2B Q92831 1/20 0.38
▸ KAT8 Q9H7Z6 1/20 0.38
▸ CA2 P00918 2/20 0.38
▸ CNR2 P34972 1/20 0.37
▸ SIGMAR1 Q99720 1/20 0.37
▸ HTR6 P50406 2/20 0.36
▸ KEAP1 Q14145 1/20 0.36
▸ HPRT1 P00492 1/20 0.35

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
SCHEMBL30502409 0.84 CYP2D6 (0.43) CHEK1NEK2LIMK1DYRK1ACLK4
SCHEMBL29827543 0.84 PAX8 (0.41) CHEK1NEK2LIMK1DYRK1ACLK4
SCHEMBL5608087 0.84 SIGMAR1 (0.40) CHEK1NEK2LIMK1DYRK1ACLK4
SCHEMBL726452 0.84 CA2 (0.47) CHEK1NEK2LIMK1DYRK1ACLK4
SCHEMBL2679932 0.84 CYP2D6 (0.43) CHEK1NEK2LIMK1DYRK1ACLK4
SCHEMBL1660887 0.84 PAX8 (0.41) CHEK1NEK2LIMK1DYRK1ACLK4
SCHEMBL29773602 0.84 CA2 (0.47) CHEK1NEK2LIMK1DYRK1ACLK4
Hydrochloric Acid SCHEMBL28101819 0.83 EP300 (0.43) CHEK1NEK2LIMK1DYRK1ACLK4
SCHEMBL7595952 0.80 CHEK1 (0.39) CHEK1NEK2LIMK1DYRK1ACLK4
SCHEMBL7298973 0.80 G6PD (0.37) CHEK1NEK2LIMK1DYRK1ACLK4

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 23 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8338605-B2 Anti-viral compounds ABBOTT LABORATORIES (US) 2012-12-25 — — US claimed
US-20100256139-A1 Anti-Viral Compounds ABBOTT LABORATORIES (US) 2010-10-07 — — US claimed
EP-1979349-B1 ANTI-VIRAL COMPOUNDS ABBOTT LAB (US) 2010-07-28 — — EP claimed
EP-1979349-A2 ANTI-VIRAL COMPOUNDS Abbott Laboratories (US) 2008-10-15 — — EP claimed
US-20070232645-A1 ANTI-VIRAL COMPOUNDS ABBVIE INC. 2007-10-04 — — US claimed
WO-2007076035-A2 ANTI-VIRAL COMPOUNDS ABBOTT LABORATORIES (US) 2007-07-05 — — WO claimed
EP-2719693-B1 METHOD FOR MANUFACTURING OXETANE COMPOUND, METHOD FOR MANUFACTURING AZOLYLMETHYLCYCLOPENTANOL COMPOUND, AND INTERMEDIATE COMPOUND KUREHA CORP (JP) 2016-08-10 — — EP disclosed
US-9278966-B2 Method for manufacturing oxetane compound, method for manufacturing azolylmethylcyclopentanol compound, and intermediate compound KUREHA CORPORATION (JP) 2016-03-08 — — US disclosed
US-9051298-B2 Method for manufacturing 4-benzyl-1-methyl-6-oxabicyclo[3,2,0]heptane derivative and method for manufacturing azole derivative KUREHA CORPORATION (JP) 2015-06-09 — — US disclosed
US-8962871-B2 Method for producing 4-benzyl-1-methyl-6-oxabicyclo[3,2,0]heptane derivative KUREHA CORPORATION (JP) 2015-02-24 — — US disclosed
EP-2813501-A1 METHOD FOR PRODUCING 4-BENZYL-1-METHYL-6-OXABICYCLO[3,2,0]HEPTANE DERIVATIVE Kureha Corporation (JP) 2014-12-17 — — EP disclosed
US-20140336389-A1 METHOD FOR MANUFACTURING 4-BENZYL-1-METHYL-6-OXABICYCLO[3,2,0]HEPTANE DERIVATIVE AND METHOD FOR MANUFACTURING AZOLE DERIVATIVE KUREHA CORPORATION (JP) 2014-11-13 — — US disclosed
US-20140296535-A1 METHOD FOR PRODUCING 4-BENZYL-1-METHYL-6-OXABICYCLO[3,2,0]HEPTANE DERIVATIVE KUREHA CORPORATION (JP) 2014-10-02 — — US disclosed
US-8338605-B2 Anti-viral compounds ABBOTT LABORATORIES (US) 2012-12-25 — — US disclosed
US-20100256139-A1 Anti-Viral Compounds ABBOTT LABORATORIES (US) 2010-10-07 — — US disclosed
EP-1979349-B1 ANTI-VIRAL COMPOUNDS ABBOTT LAB (US) 2010-07-28 — — EP disclosed
US-7763731-B2 Anti-viral compounds ABBOTT LABORATORIES (US) 2010-07-27 — — US disclosed
EP-1979349-A2 ANTI-VIRAL COMPOUNDS Abbott Laboratories (US) 2008-10-15 — — EP disclosed
US-20070232645-A1 ANTI-VIRAL COMPOUNDS ABBVIE INC. 2007-10-04 — — US disclosed
WO-2007076035-A2 ANTI-VIRAL COMPOUNDS ABBOTT LABORATORIES (US) 2007-07-05 — — 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 (4 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-20140296535-A1 METHOD FOR PRODUCING 4-BENZYL-1-METHYL-6-OXABICYCLO[3,2,0]HEPTANE DERIVATIVE CYP2B6, CYP2F1, CYP1B1 CHEK1 4565/4885NEK2 2906/4885LIMK1 4591/4885
US-20070232645-A1 ANTI-VIRAL COMPOUNDS HAVCR2, MAVS, EIF2AK2 CHEK1 3957/4885NEK2 3397/4885LIMK1 3171/4885
US-20140336389-A1 METHOD FOR MANUFACTURING 4-BENZYL-1-METHYL-6-OXABICYCLO[3,2,0]HEPTANE DERIVATIVE AND METHOD FOR MANUFACTURING AZOLE DERIVATIVE CYP1B1, CYP4B1, CYP4F11 CHEK1 4395/4885NEK2 3334/4885LIMK1 4619/4885
US-20100256139-A1 Anti-Viral Compounds HAVCR2, MAVS, EIF2AK2 CHEK1 3957/4885NEK2 3397/4885LIMK1 3171/4885

“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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