Sugi Predict

Sugi Predict / Compounds / SCHEMBL8952107

SCHEMBL8952107

SCHEMBL8952107

CCOC(=O)C(C#N)=CN(C)C

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP2C9 P11712 1/20 1.00
▸ PTP4A1 Q93096 1/20 0.50
▸ MIF P14174 1/20 0.50
▸ ALDH1A1 P00352 7/20 0.48
▸ TSHR P16473 1/20 0.48
▸ MAPT P10636 4/20 0.47
▸ KDM4E B2RXH2 4/20 0.47
▸ POLB P06746 1/20 0.47
▸ TDP1 Q9NUW8 1/20 0.47
▸ MEN1 O00255 3/20 0.46
▸ KMT2A Q03164 3/20 0.46
▸ NPSR1 Q6W5P4 3/20 0.46
▸ NPC1 O15118 2/20 0.46
▸ RAB9A P51151 2/20 0.46
▸ SMN1; SMN2 Q16637 2/20 0.46
▸ USP2 O75604 1/20 0.46
▸ GAA P10253 1/20 0.46
▸ PDCD1 Q15116 1/20 0.44
▸ CD274 Q9NZQ7 1/20 0.44
▸ PKM P14618 1/20 0.44

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
SCHEMBL8952104 1.00 CYP2C9 (1.00) CYP2C9PTP4A1MIFALDH1A1TSHR
SCHEMBL29924198 1.00 CYP2C9 (1.00) CYP2C9PTP4A1MIFALDH1A1TSHR
SCHEMBL28619646 0.86 CYP2C9 (0.75) CYP2C9PTP4A1MIFALDH1A1MAPT
SCHEMBL28620837 0.83 CYP2C9 (0.71) CYP2C9PTP4A1MIFALDH1A1TSHR
SCHEMBL2755215 0.82 CYP2C9 (0.69) CYP2C9PTP4A1MIFALDH1A1TSHR
SCHEMBL4961560 0.82 CYP2C9 (0.69) CYP2C9PTP4A1MIFALDH1A1TSHR
SCHEMBL4906704 0.82 CYP2C9 (0.69) CYP2C9PTP4A1MIFALDH1A1TSHR
SCHEMBL8559723 0.81 CYP2C9 (0.68) CYP2C9PTP4A1MIFALDH1A1TSHR
SCHEMBL8559725 0.81 CYP2C9 (0.68) CYP2C9PTP4A1MIFALDH1A1TSHR
SCHEMBL9869805 0.80 CYP2C9 (0.66) CYP2C9PTP4A1MIFALDH1A1TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115215767-B Process for preparing 2-cyano-3-ethoxyacrylic acid ethyl ester derivative 帕潘纳(北京)科技有限公司 2023-09-12 — — CN claimed
CN-115312852-A Polymer solid electrolyte and preparation method and application thereof 中南大学 2022-11-08 — — CN claimed
CN-115215767-A Process for preparing 2-cyano-3-ethoxy ethyl acrylate derivatives 帕潘纳(北京)科技有限公司 2022-10-21 — — CN claimed
US-4032495-A WATER-REPELLENT AND OIL-REPELLENT COMPOSITIONS BASED ON FLUORINE COMPOUND PRODUITS CHIMIQUES UGINE KUHLMANN (FR) 1977-06-28 — — US claimed
CN-118076133-A Composite material, composition, preparation method of composite material, light-emitting device and display device TCL科技集团股份有限公司 2024-05-24 — — CN disclosed
CN-115215767-B Process for preparing 2-cyano-3-ethoxyacrylic acid ethyl ester derivative 帕潘纳(北京)科技有限公司 2023-09-12 — — CN disclosed
CN-115215767-B Process for preparing 2-cyano-3-ethoxyacrylic acid ethyl ester derivative 帕潘纳(北京)科技有限公司 2023-09-12 — — CN disclosed
CN-115312852-A Polymer solid electrolyte and preparation method and application thereof 中南大学 2022-11-08 — — CN disclosed
CN-115215767-A Process for preparing 2-cyano-3-ethoxy ethyl acrylate derivatives 帕潘纳(北京)科技有限公司 2022-10-21 — — CN disclosed
US-11339171-B2 MDM2 inhibitors GAN & LEE PHARMACEUTICALS (CN) 2022-05-24 — — US disclosed
CN-113135857-A Synthesis method of N-hydroxyethyl-5-amino-1H pyrazole 杭州迪克科技有限公司 2021-07-20 — — CN disclosed
US-20200247800-A1 SUBSTITUTED BICYCLIC HETEROCYCLIC COMPOUNDS AS NADPH OXIDASE INHIBITORS GLENMARK PHARMACEUTICALS S.A. (CH) 2020-08-06 — — US disclosed
US-5514816-A REACTION OF DIFLUOROBENZO-1,3-DIOXOLE WITH METAL COMPOUNDS FOR INSECTICIDES CIBA-GEIGY CORPORATION (US) 1996-05-07 — — US disclosed
US-5496848-A Process for the preparation of substituted difluorobenzo-1,3-dioxoles CIBA-GEIGY CORPORATION (US) 1996-03-05 — — US disclosed
US-5493032-A INSECTICIDES, MICROBIOCIDES CIBA-GEIGY CORPORATION (US) 1996-02-20 — — US disclosed
US-5420301-A Process for the preparation of substituted difluorobenzo-1,3-dioxoles CIBA-GEIGY CORPORATION (US) 1995-05-30 — — US disclosed
US-5281718-A Reacting in one pot reaction 2,2-difluorobenzodioxole with an organometal compound or metal to form 4-metallo-2,2-difluorobenzodioxole, reacting with unsaturated nitrile, then with isocyanide CIBA-GEIGY CORPORATION (US) 1994-01-25 — — US disclosed
US-5241099-A PROCESS FOR THE PREPARATION OF AMINOMETHYLENE COMPOUNDS BAYER AKTIENGESELLSCHAFT (DE) 1993-08-31 — — US disclosed
US-5194628-A Reacting metallo-difluorobenzodioxole with unsaturated nitrile and then with sulfonylmethyl isocyanide CIBA-GEIGY CORPORATION (US) 1993-03-16 — — US disclosed
US-4032495-A WATER-REPELLENT AND OIL-REPELLENT COMPOSITIONS BASED ON FLUORINE COMPOUND PRODUITS CHIMIQUES UGINE KUHLMANN (FR) 1977-06-28 — — 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 (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-20200247800-A1 SUBSTITUTED BICYCLIC HETEROCYCLIC COMPOUNDS AS NADPH OXIDASE INHIBITORS NOX1, CYBB, NOX4 CYP2C9 741/4885PTP4A1 829/4885MIF 2882/4885
US-11339171-B2 MDM2 inhibitors MDM2, MDM4, TP53 CYP2C9 2572/4885PTP4A1 521/4885MIF 90/4885

“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.