SCHEMBL278989

SCHEMBL278989

CCC(=O)C(=O)OC(C)C

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.43
LMNA P02545 2/20 0.40
ADRA1A P35348 1/20 0.39
PDE4D Q08499 1/20 0.39
HCAR2 Q8TDS4 1/20 0.34
GAA P10253 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
TDP1 Q9NUW8 2/20 0.32
ALDH1A1 P00352 2/20 0.32
FFAR3 O14843 1/20 0.32
CA12 O43570 3/20 0.31
CA1 P00915 3/20 0.31
CA2 P00918 3/20 0.31
CA7 P43166 3/20 0.31
CA9 Q16790 3/20 0.31
CA14 Q9ULX7 3/20 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
SCHEMBL16128812 0.81 TSHR (0.37) TSHRLMNAADRA1APDE4DHCAR2
SCHEMBL16045520 0.81 TSHR (0.46) TSHRLMNAADRA1APDE4DHCAR2
SCHEMBL16046615 0.81 TSHR (0.46) TSHRLMNAADRA1APDE4DHCAR2
SCHEMBL1088188 0.80 CES2 (0.50) TSHRLMNAADRA1APDE4DHCAR2
SCHEMBL9457583 0.80 MAPT (0.34) TSHRLMNASMN1; SMN2
SCHEMBL28335562 0.79 TSHR (0.43) TSHRLMNAADRA1APDE4DHCAR2
SCHEMBL16046806 0.77 TSHR (0.42) TSHRLMNAADRA1APDE4DHCAR2
SCHEMBL1089594 0.77 CA2 (0.44) TSHRLMNAADRA1APDE4DHCAR2
SCHEMBL1242991 0.77 TSHR (0.42) TSHRLMNAADRA1APDE4DHCAR2
SCHEMBL4521664 0.77 TSHR (0.42) TSHRLMNAADRA1APDE4DHCAR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023197017-A1 ENANTIOSELECTIVE METHODS FOR PREPARING CHIRAL AMINE INTERMEDIATES UNIVERSITY OF THE WITWATERSRAND, JOHANNESBURG (ZA) 2023-10-12 WO claimed
US-20250215465-A1 ENANTIOSELECTIVE METHODS FOR PREPARING CHIRAL AMINE INTERMEDIATES UNIVERSITY OF THE WITWATERSRAND, JOHANNESBURG (ZA) 2025-07-03 US disclosed
EP-4493708-A1 ENANTIOSELECTIVE METHODS FOR PREPARING CHIRAL AMINE INTERMEDIATES University of the Witwatersrand, Johannesburg (ZA) 2025-01-22 EP disclosed
WO-2023197017-A1 ENANTIOSELECTIVE METHODS FOR PREPARING CHIRAL AMINE INTERMEDIATES UNIVERSITY OF THE WITWATERSRAND, JOHANNESBURG (ZA) 2023-10-12 WO disclosed
EP-3823774-A1 SIZING COMPOSITION FOR CASTING MOULDS FOR METAL CASTING, USE THEREOF, AND CASTING MOULDS PROVIDED WITH THE SIZING COMPOSITION ASK Chemicals GmbH (DE) 2021-05-26 EP disclosed
US-8153839-B2 Method for synthesis of keto acids or amino acids by hydration of acetylene compound JAPAN SCIENCE AND TECHNOLOGY AGENCY (JP) 2012-04-10 US disclosed
US-8133992-B2 Azepinoindole and pyridoindole derivatives as pharmaceutical agents EXELIXIS, INC. (US) 2012-03-13 US disclosed
US-20090216044-A1 METHOD FOR SYNTHESIS OF KETO ACIDS OR AMINO ACIDS BY HYDRATION OF ACETYLENE COMPOUND JAPAN SCIENCE AND TECHNOLOGY AGENCY (JP) 2009-08-27 US disclosed
US-7517828-B2 Chiral broensted acid catalyst for asymmetric synthesis and method of asymmetric synthesis with the catalyst TOAGOSEI CO., LTD. (JP) 2009-04-14 US disclosed
EP-1932824-A1 METHOD FOR SYNTHESIS OF KETO ACID OR AMINO ACID BY HYDRATION OF ACETHYLENE COMPOUND Japan Science and Technology Agency (JP) 2008-06-18 EP disclosed
US-20060276329-A1 Asymmetric synthesis catalyst based on chiral brsnsted acid and method of asymmetric synthesis with the catalyst TOAGOSEI CO., LTD. (JP) 2006-12-07 US disclosed
EP-1623971-A1 ASYMMETRIC-SYNTHESIS CATALYST BASED ON CHIRAL BROENSTED ACID AND METHOD OF ASYMMETRIC SYNTHESIS WITH THE CATALYST TOAGOSEI CO., LTD. (JP) 2006-02-08 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-20060276329-A1 Asymmetric synthesis catalyst based on chiral brsnsted acid and method of asymmetric synthesis with the catalyst LSS, COASY, FASN TSHR 3114/4885LMNA 1162/4885ADRA1A 2991/4885
US-20090216044-A1 METHOD FOR SYNTHESIS OF KETO ACIDS OR AMINO ACIDS BY HYDRATION OF ACETYLENE COMPOUND AADAT, BCAT2, BCAT1 TSHR 2131/4885LMNA 1229/4885ADRA1A 2450/4885
US-20250215465-A1 ENANTIOSELECTIVE METHODS FOR PREPARING CHIRAL AMINE INTERMEDIATES BCAT1, BCAT2, CES1 TSHR 1369/4885LMNA 1726/4885ADRA1A 616/4885

“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.