SCHEMBL254471

SCHEMBL254471

Cc1ccc([S@+](C)[O-])cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACHE P22303 7/20 0.47
TDP1 Q9NUW8 1/20 0.47
GAA P10253 2/20 0.38
ALDH1A1 P00352 3/20 0.36
CA1 P00915 2/20 0.36
CA2 P00918 2/20 0.36
CA7 P43166 2/20 0.36
CA9 Q16790 2/20 0.36
HSD17B10 Q99714 1/20 0.35
CA12 O43570 1/20 0.35
CA3 P07451 1/20 0.35
CA6 P23280 1/20 0.35
CA5A P35218 1/20 0.35
CA5B Q9Y2D0 1/20 0.35
TSHR P16473 3/20 0.33
LMNA P02545 2/20 0.33
TLR9 Q9NR96 1/20 0.33
ALOX12 P18054 1/20 0.33
SMN1; SMN2 Q16637 2/20 0.32
KMT2A Q03164 1/20 0.32

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
SCHEMBL1094237 1.00 ACHE (0.47) ACHETDP1GAAALDH1A1CA1
SCHEMBL280535 1.00 ACHE (0.47) ACHETDP1GAAALDH1A1CA1
SCHEMBL20661295 0.92 ACHE (0.40) ACHETDP1GAAALDH1A1CA1
SCHEMBL20661294 0.92 ACHE (0.40) ACHETDP1GAAALDH1A1CA1
SCHEMBL8779728 0.87
SCHEMBL17898104 0.86 MLYCD (0.40) ACHETDP1ALDH1A1TSHRLMNA
SCHEMBL16841481 0.86 TEAD4 (0.50) ACHETDP1GAAALDH1A1TSHR
SCHEMBL13772979 0.82 CYP19A1 (0.48) ACHETDP1ALDH1A1TSHRSMN1; SMN2
SCHEMBL28805138 0.79
SCHEMBL563967 0.79 ACHE (0.50) ACHETDP1GAAALDH1A1CA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110477401-A The purposes of sweet potato polypeptide compound LANXI CHENMO BIOLOGICAL TECH CO LTD 2019-11-22 CN disclosed
CN-110477400-A A kind of preparation method of the polypeptide compound of pheretima preparation LANXI CHENMO BIOLOGICAL TECH CO LTD 2019-11-22 CN disclosed
CN-108034684-A The preparation method of sweet potato polypeptide 金华市铁骑士生物科技有限公司 2018-05-15 CN disclosed
US-20170349544-A1 Ethynylbenzene Derivatives DUKE UNIVERSITY 2017-12-07 US disclosed
US-20170349544-A1 Ethynylbenzene Derivatives DUKE UNIVERSITY 2017-12-07 US disclosed
US-9738604-B2 Ethynylbenzene derivatives DUKE UNIVERSITY (US) 2017-08-22 US disclosed
US-9738604-B2 Ethynylbenzene derivatives DUKE UNIVERSITY (US) 2017-08-22 US disclosed
US-20130231323-A1 ETHYNYLBENZENE DERIVATIVES DUKE UNIVERSITY (US) 2013-09-05 US disclosed
WO-2012031298-A2 ETHYNYLBENZENE DERIVATIVES DUKE UNIVERSITY (US) 2012-03-08 WO disclosed
US-7981318-B2 Reaction reagent for trifluoromethylation SAGAMI CHEMICAL RESEARCH CENTER (JP) 2011-07-19 US disclosed
US-20100230633-A1 Reaction Reagent for Trifluoromethylation TOSOH F-TECH, INC. (JP) 2010-09-16 US disclosed
EP-2080744-A1 REACTION REAGENT FOR TRIFLUOROMETHYLATION SAGAMI CHEMICAL RESEARCH CENTER (JP) 2009-07-22 EP disclosed
US-7166585-B2 24-Sulfur-substituted analogs of 1α,25-dihydroxy vitamin D3 CYTOCHROMA INC. (CA) 2007-01-23 US disclosed
US-20040132695-A1 24-Sulfur-substituted analogs of 1 alpha, 25-dihydroxy vitamin D3 NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2004-07-08 US disclosed
WO-2002016570-A1 DMS:ACCEPTOR OXIDOREDUCTASE THE UNIVERSITY OF QUEENSLAND (AU) 2002-02-28 WO disclosed
US-6218431-B1 GLUCAGON RECEPTOR ANTAGONISTS FOR THERAPY OF DIABETES AND CONDITIONS ASSOCIATED WITH DIABETES BAYER CORPORATION 2001-04-17 US disclosed
EP-0934274-A1 SUBSTITUTED PYRIDINES AND BIPHENYLS AS ANTI-HYPERCHOLESTERINEMIC, ANTI-HYPERLIPOPROTEINEMIC AND ANTI-HYPERGLYCEMIC AGENTS Bayer Corporation (US) 1999-08-11 EP disclosed
WO-1998004528-A2 SUBSTITUTED PYRIDINES AND BIPHENYLS AS ANTI-HYPERCHOLESTERINEMIC, ANTI-HYPERLIPOPROTEINEMIC AND ANTI-HYPERGLYCEMIC AGENTS BAYER CORPORATION (US) 1998-02-05 WO disclosed
US-5506256-A PREVENTION AND/OR TREATMENT OF DEMENTIA, AMNESIA YOSHITOMI PHARMACEUTICAL INDUSTRIES, LTD. (JP) 1996-04-09 US disclosed
EP-0468469-A2 Proline derivatives Japan Tobacco Inc. (JP) 1992-01-29 EP 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-20040132695-A1 24-Sulfur-substituted analogs of 1 alpha, 25-dihydroxy vitamin D3 CYP24A1, CYP2R1, CYP27B1 ACHE 4866/4885TDP1 4144/4885GAA 2423/4885
US-20170349544-A1 Ethynylbenzene Derivatives Q6ZSR9, EPX, ZYX ACHE 3065/4885TDP1 3187/4885GAA 1139/4885
US-20130231323-A1 ETHYNYLBENZENE DERIVATIVES Q6ZSR9, EPX, ZYX ACHE 3065/4885TDP1 3187/4885GAA 1139/4885

“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.