SCHEMBL1752393

SCHEMBL1752393

COC(=O)CC(C#N)C(=O)OC

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 5/20 0.37
HTT P42858 1/20 0.36
HSD17B10 Q99714 2/20 0.34
MGAM O43451 2/20 0.34
GAA P10253 2/20 0.34
SI P14410 2/20 0.34
MGAM2 Q2M2H8 2/20 0.34
SMN1; SMN2 Q16637 3/20 0.33
KMT2A Q03164 2/20 0.33
MEN1 O00255 1/20 0.33
MAPT P10636 2/20 0.33
RAB9A P51151 1/20 0.33
ANPEP P15144 2/20 0.31
ALDH1A1 P00352 2/20 0.31
MAPK1 P28482 1/20 0.31
CASP7 P55210 1/20 0.31
TP53 P04637 1/20 0.31
HPGD P15428 1/20 0.31
CA1 P00915 1/20 0.31
CA2 P00918 1/20 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
SCHEMBL23175627 0.86 GAA (0.45) TSHRHSD17B10MGAMGAASI
SCHEMBL3249360 0.83 ALDH1A1 (0.36) TSHRMGAMGAASIMGAM2
SCHEMBL14192720 0.83 KMT2A (0.34) TSHRSMN1; SMN2KMT2AANPEPALDH1A1
SCHEMBL28289211 0.82 TSHR (0.36) TSHRHTTHSD17B10MGAMGAA
SCHEMBL11670845 0.80 CA1 (0.38) TSHRSMN1; SMN2KMT2AANPEPALDH1A1
SCHEMBL13548729 0.80 ALDH1A1 (0.33) TSHRSMN1; SMN2ANPEPALDH1A1
SCHEMBL8685566 0.80 TSHR (0.44) TSHRHTTHSD17B10MGAMGAA
SCHEMBL16006403 0.80 TDP1 (0.33) SMN1; SMN2ANPEPCA1CA2
SCHEMBL19781690 0.80 TSHR (0.34) TSHRHTTHSD17B10MGAMGAA
SCHEMBL13315130 0.79 CA1 (0.32) SMN1; SMN2CA1CA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4442298-A Chemical synthesis of ethylene/maleic anhydride dimer with phenylethyl end group MONSANTO COMPANY (US) 1984-04-10 US claimed
WO-2025059469-A1 SUBSTITUTED AMINOPYRIDINE COMPOUNDS AS AKT INHIBITORS ATAVISTIK BIO, INC. (US) 2025-03-20 WO disclosed
CN-113174002-B Ultrahigh molecular weight polyethylene catalyst, and preparation method and application thereof 上海化工研究院有限公司 2023-04-07 CN disclosed
US-11584748-B2 Spirocyclic compounds C4 THERAPEUTICS, INC. (US) 2023-02-21 US disclosed
US-11168086-B2 Methods of synthesizing pyrazine compounds HOFFMANN-LA ROCHE INC. (US) 2021-11-09 US disclosed
US-11168086-B2 Methods of synthesizing pyrazine compounds HOFFMANN-LA ROCHE INC. (US) 2021-11-09 US disclosed
CN-113174002-A Ultrahigh molecular weight polyethylene catalyst, and preparation method and application thereof 上海化工研究院有限公司 2021-07-27 CN disclosed
US-20210032245-A1 SPIROCYCLIC COMPOUNDS C4 THERAPEUTICS, INC. (US) 2021-02-04 US disclosed
CN-112312904-A Spiro compounds C4医药公司 2021-02-02 CN disclosed
CN-107207515-B Pyrazine compounds for the treatment of infectious diseases 豪夫迈·罗氏有限公司 2019-05-28 CN disclosed
US-4521344-A Cyano-dicarboxylate MONSANTO COMPANY (US) 1985-06-04 US disclosed
US-4521344-A Cyano-dicarboxylate MONSANTO COMPANY (US) 1985-06-04 US disclosed
US-4514340-A Cyano-polycarboxylates MONSANTO COMPANY (US) 1985-04-30 US disclosed
US-4514340-A Cyano-polycarboxylates MONSANTO COMPANY (US) 1985-04-30 US disclosed
US-4442298-A Chemical synthesis of ethylene/maleic anhydride dimer with phenylethyl end group MONSANTO COMPANY (US) 1984-04-10 US disclosed
US-4442298-A Chemical synthesis of ethylene/maleic anhydride dimer with phenylethyl end group MONSANTO COMPANY (US) 1984-04-10 US disclosed
US-4428887-A Method of producing mono-substituted terminal diesters MONSANTO COMPANY (US) 1984-01-31 US disclosed
EP-0028430-B1 A PROCESS FOR THE ELECTROREDUCTIVE PREPARATION OF ORGANIC COMPOUNDS SHELL INTERNATIONALE RESEARCHMAATSCHAPPIJ B.V. (NL) 1984-01-18 EP disclosed
EP-0028430-A1 A process for the electroreductive preparation of organic compounds SHELL INTERNATIONALE RESEARCHMAATSCHAPPIJ B.V. (NL) 1981-05-13 EP disclosed
US-4028201-A Electrolytic monocarboxylation of activated olefins MONSANTO COMPANY (US) 1977-06-07 US 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-11168086-B2 Methods of synthesizing pyrazine compounds CYP3A5, HAVCR2, HCCS TSHR 245/4885HTT 2541/4885HSD17B10 1085/4885
US-20210032245-A1 SPIROCYCLIC COMPOUNDS CRBN, RBX1, XIAP TSHR 3397/4885HTT 1685/4885HSD17B10 1926/4885
US-11584748-B2 Spirocyclic compounds CRBN, RBX1, XIAP TSHR 3397/4885HTT 1685/4885HSD17B10 1926/4885

“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.