SCHEMBL4417223

SCHEMBL4417223

C=CCN[C@H](CS)C(=O)O

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
KDM4E B2RXH2 1/20 0.45
THRB P10828 1/20 0.45
ALOX15 P16050 1/20 0.45
NFKB1 P19838 1/20 0.45
PTGS2 P35354 1/20 0.45
THPO P40225 1/20 0.45
RECQL P46063 1/20 0.45
BLM P54132 1/20 0.45
ACE P12821 1/20 0.41
FOLH1 Q04609 1/20 0.39
TSHR P16473 1/20 0.33
PTGS1 P23219 1/20 0.33
SLC7A11 Q9UPY5 1/20 0.33
CA1 P00915 3/20 0.32
CA2 P00918 3/20 0.32
KMT2A Q03164 1/20 0.31
ALDH1A1 P00352 1/20 0.30
ENPEP Q07075 1/20 0.30

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
SCHEMBL747873 1.00 MAPT (0.45) MAPTSMN1; SMN2KDM4ETHRBALOX15
SCHEMBL747872 1.00 MAPT (0.45) MAPTSMN1; SMN2KDM4ETHRBALOX15
Hydrogen Sulfide SCHEMBL27945862 0.98 MAPT (0.44) MAPTSMN1; SMN2KDM4ETHRBALOX15
Hydrogen Sulfide SCHEMBL28147035 0.98 MAPT (0.44) MAPTSMN1; SMN2KDM4ETHRBALOX15
SCHEMBL28419180 0.96 MAPT (0.42) MAPTSMN1; SMN2KDM4ETHRBALOX15
Acetic Acid SCHEMBL21359017 0.94 MAPT (0.50) MAPTSMN1; SMN2KDM4ETHRBALOX15
SCHEMBL16703745 0.84 FOLH1 (0.34) MAPTSMN1; SMN2KDM4ETHRBALOX15
SCHEMBL16703747 0.84 FOLH1 (0.34) MAPTSMN1; SMN2KDM4ETHRBALOX15
SCHEMBL2192913 0.81 KDM4E (0.47) MAPTSMN1; SMN2KDM4ETHRBALOX15
SCHEMBL2286681 0.81 TGFBR1 (0.42) MAPTSMN1; SMN2TSHRCA1CA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180362456-A1 NEW COMPOUNDS WITH ANTIOXIDANT AND ANTIAGING ACTIVITY EMS S/A (BR) 2018-12-20 US claimed
CN-114533940-A Medical adhesive composition and preparation method thereof 广州白云医用胶有限公司 2022-05-27 CN disclosed
US-20180362456-A1 NEW COMPOUNDS WITH ANTIOXIDANT AND ANTIAGING ACTIVITY EMS S/A (BR) 2018-12-20 US disclosed
WO-2017096450-A1 NEW COMPOUNDS WITH ANTIOXIDANT AND ANTIAGING ACTIVITY EMS S/A (BR) 2017-06-15 WO disclosed
US-20170156346-A1 PESTICIDE AND REPELLENT ECOSPRAY LTD (GB) 2017-06-08 US disclosed
US-9526254-B2 Pesticide and repellant ECOSPRAY LIMITED (GB) 2016-12-27 US disclosed
US-20090317500-A1 PESTICIDE AND REPELLANT ECOSPRAY LIMITED (GB) 2009-12-24 US disclosed
US-20080194666-A1 Combination Treatment Methods MEDICAL RESEARCH COUNCIL (GB) 2008-08-14 US disclosed
JP-2005278635-A PROCESSED GARLIC, AND PROCESSING METHOD THEREOF AOMORI PREFECTURE 2005-10-13 JP 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-20180362456-A1 NEW COMPOUNDS WITH ANTIOXIDANT AND ANTIAGING ACTIVITY GPX1, CAT, GPX4 MAPT 2963/4885SMN1; SMN2 2003/4885KDM4E 3560/4885
US-20080194666-A1 Combination Treatment Methods GNRHR, SHBG, FSHR MAPT 4640/4885SMN1; SMN2 2551/4885KDM4E 3787/4885
US-20170156346-A1 PESTICIDE AND REPELLENT ACHE, NOTUM, BPHL MAPT 1451/4885SMN1; SMN2 1940/4885KDM4E 2453/4885
US-20090317500-A1 PESTICIDE AND REPELLANT ACHE, NOTUM, BPHL MAPT 1374/4885SMN1; SMN2 2092/4885KDM4E 2519/4885

“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.