SCHEMBL2233780

SCHEMBL2233780

CCCN(CCC)C(=S)S.[Cu]

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 3/20 0.57
ABCB11 O95342 2/20 0.57
GSDMD P57764 2/20 0.57
CYP2E1 P05181 1/20 0.57
PTGS1 P23219 1/20 0.57
CA12 O43570 7/20 0.55
CA2 P00918 7/20 0.55
CA9 Q16790 7/20 0.55
CA1 P00915 6/20 0.55
ALDH1A1 P00352 7/20 0.36
ALDH2 P05091 3/20 0.36
TSHR P16473 2/20 0.36
MAPK1 P28482 1/20 0.36
HPGD P15428 3/20 0.33
TP53 P04637 2/20 0.32
EHMT2 Q96KQ7 3/20 0.32
EHMT1 Q9H9B1 3/20 0.32
CA4 P22748 2/20 0.32
MGLL Q99685 2/20 0.31
CYP2C9 P11712 2/20 0.31

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
SCHEMBL442021 0.97 HTT (0.60) HTTABCB11GSDMDCYP2E1PTGS1
SCHEMBL27926635 0.94 HTT (0.57) HTTABCB11GSDMDCYP2E1PTGS1
Ammonia Solution, Strong SCHEMBL6300194 0.94 HTT (0.57) HTTABCB11GSDMDCYP2E1PTGS1
Hydrogen Sulfide SCHEMBL7978771 0.94 HTT (0.57) HTTABCB11GSDMDCYP2E1PTGS1
Selenium SCHEMBL11490632 0.94 HTT (0.57) HTTABCB11GSDMDCYP2E1PTGS1
Ammonia Solution, Strong SCHEMBL9323211 0.94 HTT (0.57) HTTABCB11GSDMDCYP2E1PTGS1
Water SCHEMBL27918103 0.94 HTT (0.57) HTTABCB11GSDMDCYP2E1PTGS1
Zinc Ion SCHEMBL2986374 0.92 ABCB11 (0.55) HTTABCB11GSDMDCYP2E1PTGS1
Ethylene SCHEMBL21221525 0.92 ABCB11 (0.55) HTTABCB11GSDMDCYP2E1PTGS1
Water SCHEMBL27426640 0.92 ABCB11 (0.55) HTTABCB11GSDMDCYP2E1PTGS1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7977503-B2 Polymerization inhibition method NIPPON SHOKUBAI CO., LTD. (JP) 2011-07-12 US claimed
US-20100130766-A1 POLYMERIZATION INHIBITION METHOD NIPPON SHOKUBAI CO., LTD. (JP) 2010-05-27 US claimed
CN-1305832-C Method for purifying acrylic acid MITSUBISHI CHEM CORP (JP) 2007-03-21 CN claimed
CN-1288126-C Method for purifying acrylic acid MITSUBISHI CHEM CORP (JP) 2006-12-06 CN claimed
CN-1582268-A Method for purifying acrylic acid MITSUBISHI CHEM CORP (JP) 2005-02-16 CN claimed
CN-1572777-A Method for purifying acrylic acid MITSUBISHI CHEM CORP (JP) 2005-02-02 CN claimed
CN-1117060-C Process for purifying acrylic acid SUMITOMO CHEMICAL CO (JP) 2003-08-06 CN claimed
CN-1109863-A Process for purifying acrylic acid SUMITOMO CHEMICAL CO (JP) 1995-10-11 CN claimed
US-10982148-B2 Liquid crystal device, method for producing same, and compound JSR CORPORATION (JP) 2021-04-20 US disclosed
US-20200231875-A1 LIQUID CRYSTAL DEVICE, METHOD FOR PRODUCING SAME, AND COMPOUND JSR CORPORATION (JP) 2020-07-23 US disclosed
CN-103201334-A Method for manufacturing rubber composition BRIDGESTONE CORP 2013-07-10 CN disclosed
CN-103189438-A Method for manufacturing rubber composition BRIDGESTONE CORP 2013-07-03 CN disclosed
CN-103189439-A Method for manufacturing rubber composition BRIDGESTONE CORP 2013-07-03 CN disclosed
CN-103189423-A Method for producing rubber composition BRIDGESTONE CORP 2013-07-03 CN disclosed
CN-1157606-A Method of inhibiting vinyl compound polymerization IDEMITSU PETROCHEMICAL CO (JP) 1997-08-20 CN disclosed
EP-0753521-A2 Process for distilling crude acrylic silane solution Chisso Corporation (JP) 1997-01-15 EP disclosed
CN-1031269-C Polymerization inhibitor and inhibiting method for vinyl compound NIPPON CATALYTIC CHEM IND (JP) 1996-03-13 CN disclosed
CN-1111605-A A method of inhibiting polymerization of vinyl compound and polymerization inhibitor used therein SUMITOMO CHEMICAL CO (JP) 1995-11-15 CN disclosed
CN-1109863-A Process for purifying acrylic acid SUMITOMO CHEMICAL CO (JP) 1995-10-11 CN disclosed
CN-1061782-A The polymerization retarder and the inhibition method thereof that are used for vinyl compound NIPPON CATALYTIC CHEM IND (JP) 1992-06-10 CN 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-10982148-B2 Liquid crystal device, method for producing same, and compound NLK, DDC, SET HTT 3170/4885ABCB11 4574/4885GSDMD 643/4885
US-20200231875-A1 LIQUID CRYSTAL DEVICE, METHOD FOR PRODUCING SAME, AND COMPOUND NLK, DDC, SET HTT 3170/4885ABCB11 4574/4885GSDMD 643/4885

“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.