SCHEMBL4454189

SCHEMBL4454189

CC(C)(C)c1ccc(CS(N)(=O)=O)cc1

nearest known ligand 0.59

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 1/20 0.59
CA2 P00918 12/20 0.54
CA1 P00915 10/20 0.54
CA9 Q16790 2/20 0.54
CA5A P35218 1/20 0.54
MITF O75030 1/20 0.50
EPHX2 P34913 1/20 0.46
NR1H4 Q96RI1 1/20 0.46
ALDH1A1 P00352 1/20 0.45
GRIA4 P48058 1/20 0.45
PTGES2 Q9H7Z7 1/20 0.44
BCHE P06276 1/20 0.44
ACHE P22303 1/20 0.44
TP53 P04637 1/20 0.43
TSHR P16473 1/20 0.43

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
SCHEMBL17803562 0.84 KIF11 (0.56) KIF11CA2CA1CA9CA5A
SCHEMBL2376809 0.81 ALDH1A1 (0.47) CA2CA1CA9MITFEPHX2
SCHEMBL16914823 0.79 ALDH1A1 (0.45) CA2CA1CA9MITFEPHX2
SCHEMBL29164346 0.79 FAAH (0.54) KIF11CA2CA1CA9MITF
SCHEMBL2376802 0.79 ALDH1A1 (0.45) CA2CA1CA9MITFEPHX2
SCHEMBL3130035 0.79 KIF11 (0.89) KIF11CA2CA1CA9CA5A
SCHEMBL496730 0.79 BCHE (0.47) CA2CA1MITFEPHX2NR1H4
SCHEMBL16302768 0.77 CA1 (0.52) KIF11CA2CA1CA9CA5A
SCHEMBL4403151 0.76 KCNH2 (0.44) CA2CA1CA9MITFEPHX2
SCHEMBL3229364 0.76 CA1 (0.60) KIF11CA2CA1CA9CA5A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12303544-B2 Cytotoxic and anti-mitotic compounds, and methods of using the same ZYMEWORKS BC INC. (CA) 2025-05-20 US disclosed
US-20230390354-A1 CYTOTOXIC AND ANTI-MITOTIC COMPOUNDS, AND METHODS OF USING THE SAME ZYMEWORKS BC INC. (CA) 2023-12-07 US disclosed
US-11617777-B2 Cytotoxic and anti-mitotic compounds, and methods of using the same ZYMEWORKS BC INC. 2023-04-04 US disclosed
EP-3087091-B1 VAR2CSA-DRUG CONJUGATES ZYMEWORKS INC (CA) 2021-10-20 EP disclosed
US-10675355-B2 VAR2CSA-drug conjugates VAR2 PHARMACEUTICALS APS (DK) 2020-06-09 US disclosed
EP-3227262-B1 SULFIDE ALKYL AND PYRIDYL REVERSE SULFONAMIDE COMPOUNDS FOR HBV TREATMENT NOVIRA THERAPEUTICS INC (US) 2020-05-13 EP disclosed
US-10428041-B2 Pyridyl reverse sulfonamides for HBV treatment NOVIRA THERAPEUTICS, INC. (US) 2019-10-01 US disclosed
US-20190269785-A1 CYTOTOXIC AND ANTI-MITOTIC COMPOUNDS, AND METHODS OF USING THE SAME ZYMEWORKS BC INC. (CA) 2019-09-05 US disclosed
EP-2968440-B1 CYTOTOXIC AND ANTI-MITOTIC COMPOUNDS, AND METHODS OF USING THE SAME ZYMEWORKS INC (CA) 2019-06-05 EP disclosed
US-20190152940-A1 Pyridyl Reverse Sulfonamides For HBV Treatment NOVIRA THERAPEUTICS, INC. 2019-05-23 US disclosed
US-20170246310-A1 VAR2CSA-DRUG CONJUGATES ZYMEWORKS INC. (CA) 2017-08-31 US disclosed
CN-106459162-A VAR2CSA-drug conjugates 酵活有限公司 2017-02-22 CN disclosed
US-9522876-B2 Cytotoxic and anti-mitotic compounds, and methods of using the same ZYMEWORKS INC. 2016-12-20 US disclosed
US-20160185748-A1 PYRIDYL REVERSE SULFONAMIDES FOR HBV TREATMENT NOVIRA THERAPEUTICS, INC. 2016-06-30 US disclosed
WO-2016089990-A1 SULFIDE ALKYL AND PYRIDYL REVERSE SULFONAMIDE COMPOUNDS FOR HBV TREATMENT NOVIRA THERAPEUTICS, INC. (US) 2016-06-09 WO disclosed
US-20160038606-A1 CYTOTOXIC AND ANTI-MITOTIC COMPOUNDS, AND METHODS OF USING THE SAME ZYMEWORKS BC INC. (CA) 2016-02-11 US disclosed
US-20140315954-A1 CYTOTOXIC AND ANTI-MITOTIC COMPOUNDS, AND METHODS OF USING THE SAME ZYMEWORKS BC INC. (CA) 2014-10-23 US disclosed
EP-0819000-B1 NODULISPORIC ACID DERIVATIVES MERCK & CO INC (US) 2009-07-08 EP disclosed
US-20080200448-A1 reversible and selective purinergic receptor P2Y12 antagonists; anticoagulants; cardiovascular disorders; e.g. ethyl 2-acetoxy-6-{4-[(benzylsulfonyl)carbamoyl]piperidin-1-yl}-5-cyanonicotinate ASTRAZENECA AB (SE) 2008-08-21 US disclosed
WO-2008085119-A1 NEW PYRIDINE ANALOGUES VIII 518 ASTRAZENECA AB (SE) 2008-07-17 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 (12 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-20190152940-A1 Pyridyl Reverse Sulfonamides For HBV Treatment HAVCR2, HCCS, NR1H4 KIF11 4392/4885CA2 3736/4885CA1 4332/4885
US-20170246310-A1 VAR2CSA-DRUG CONJUGATES VARS1, GUSB, VAV1 KIF11 2706/4885CA2 3340/4885CA1 2522/4885
US-11617777-B2 Cytotoxic and anti-mitotic compounds, and methods of using the same CCNB1, PLK1, BOD1L1 KIF11 190/4885CA2 3603/4885CA1 2505/4885
US-10428041-B2 Pyridyl reverse sulfonamides for HBV treatment HAVCR2, HCCS, NR1H4 KIF11 4392/4885CA2 3736/4885CA1 4332/4885
US-20140315954-A1 CYTOTOXIC AND ANTI-MITOTIC COMPOUNDS, AND METHODS OF USING THE SAME CCNB1, CCNB2, CCNB3 KIF11 233/4885CA2 2860/4885CA1 1723/4885
US-10675355-B2 VAR2CSA-drug conjugates VARS1, GUSB, VAV1 KIF11 2706/4885CA2 3340/4885CA1 2522/4885
US-20190269785-A1 CYTOTOXIC AND ANTI-MITOTIC COMPOUNDS, AND METHODS OF USING THE SAME CCNB1, PLK1, BOD1L1 KIF11 190/4885CA2 3603/4885CA1 2505/4885
US-20080200448-A1 reversible and selective purinergic receptor P2Y12 antagonists; anticoagulants; cardiovascular disorders; e.g. ethyl 2-acetoxy-6-{4-[(benzylsulfonyl)carbamoyl]piperidin-1-yl}-5-cyanonicotinate P2RY12, P2RY13, P2RY11 KIF11 4559/4885CA2 1666/4885CA1 4124/4885
US-12303544-B2 Cytotoxic and anti-mitotic compounds, and methods of using the same CCNB1, PLK1, BOD1L1 KIF11 190/4885CA2 3603/4885CA1 2505/4885
US-20230390354-A1 CYTOTOXIC AND ANTI-MITOTIC COMPOUNDS, AND METHODS OF USING THE SAME CCNB1, PLK1, BOD1L1 KIF11 190/4885CA2 3603/4885CA1 2505/4885
US-20160185748-A1 PYRIDYL REVERSE SULFONAMIDES FOR HBV TREATMENT HAVCR2, HCCS, NR1H4 KIF11 4392/4885CA2 3736/4885CA1 4332/4885
US-20160038606-A1 CYTOTOXIC AND ANTI-MITOTIC COMPOUNDS, AND METHODS OF USING THE SAME CCNB1, PLK1, CCNB2 KIF11 186/4885CA2 3627/4885CA1 2583/4885

“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.