SCHEMBL47820

SCHEMBL47820

CC(Cl)C(C)OC(=O)OC(C)C(C)Cl

nearest known ligand 0.41

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.41
CHRM2 P08172 1/20 0.31
CHRM4 P08173 1/20 0.31
CHRM1 P11229 1/20 0.31
TBXA2R P21731 1/20 0.31
ALDH1A1 P00352 1/20 0.30
GALR3 O60755 1/20 0.30
MAPT P10636 1/20 0.30
BLM P54132 1/20 0.30
SMN1; SMN2 Q16637 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
SCHEMBL10937368 0.81 ALDH1A1 (0.50) TSHRALDH1A1MAPTSMN1; SMN2
SCHEMBL47823 0.80
SCHEMBL9761916 0.78
SCHEMBL609519 0.75 TSHR (0.38) TSHRALDH1A1
SCHEMBL222173 0.75 TSHR (0.38) TSHRSMN1; SMN2
SCHEMBL11782178 0.73 TSHR (0.36) TSHR
SCHEMBL10620706 0.71 TSHR (0.35) TSHR
SCHEMBL3359533 0.71 TSHR (0.35) TSHR
SCHEMBL2991504 0.71 TSHR (0.35) TSHR
SCHEMBL9367326 0.71 TSHR (0.35) TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024022262-A1 SALT OF ENDOTHELIN A (ETA) RECEPTOR ANTAGONIST COMPOUND, AND PREPARATION METHOD THEREFOR AND MEDICAL USE THEREOF 深圳信立泰药业股份有限公司 2024-02-01 WO disclosed
WO-2023208108-A1 COMPOUND FOR REDUCING URIC ACID 江苏新元素医药科技有限公司 2023-11-02 WO disclosed
WO-2023208103-A1 COMPOUND CAPABLE OF BEING USED FOR GOUT 江苏新元素医药科技有限公司 2023-11-02 WO disclosed
EP-3486242-B1 OXOPICOLINAMIDE DERIVATIVE, PREPARATION METHOD THEREFOR AND PHARMACEUTICAL USE THEREOF JIANGSU HENGRUI MEDICINE CO (CN) 2021-12-08 EP disclosed
CN-113683614-A Fused tricyclic pyridazinone compounds for the treatment of orthomyxoviral infections 诺华股份有限公司 2021-11-23 CN disclosed
CN-109863151-B Fused tricyclic pyridazinone compounds for the treatment of orthomyxoviral infections 诺华股份有限公司 2021-09-10 CN disclosed
US-11084808-B2 Oxopicolinamide derivative, preparation method therefor and pharmaceutical use thereof JIANGSU HENGRUI MEDICINE CO., LTD. (CN) 2021-08-10 US disclosed
CN-112969687-A Quinoline derivatives as alpha 4 beta 7 integrin inhibitors 吉利德科学公司 2021-06-15 CN disclosed
CN-112154145-A Piperazine azaspiro derivatives 辉瑞大药厂 2020-12-29 CN disclosed
US-20200199115-A1 OXOPICOLINAMIDE DERIVATIVE, PREPARATION METHOD THEREFOR AND PHARMACEUTICAL USE THEREOF SHANGHAI HENGRUI PHARMACEUTICAL CO., LTD. (CN) 2020-06-25 US disclosed
US-20020143043-A1 Substituted imidazolidine derivatives, their preparation, their use and pharmaceutical preparations including them SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2002-10-03 US disclosed
US-6331552-B1 THERAPY AND PROPHYLAXIS OF INFLAMMATORY DISORDERS, FOR EXAMPLE OF RHEUMATOID ARTHRITIS, OR OF ALLERGIC DISORDERS AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2001-12-18 US disclosed
US-5688946-A DIPEPTIDES FOR HYPOTENSIVE AGENTS AND CARDIOVASCULAR DISORDERS HOFFMANN LA ROCHE INC. (US) 1997-11-18 US disclosed
US-5587374-A BACTERICIDES TREATING INFECTIONS GLAXO SPA (IT) 1996-12-24 US disclosed
EP-0495953-B1 10-(1-Hydroxyethyl)-11-oxo-1-azatricyclo[7.2.0.0(3,8)]undec-2-ene-2-carboxylic acid esters and a process for preparing thereof GLAXO SPA (IT) 1994-06-08 EP disclosed
EP-0236231-B1 Novel cephem compounds MEIJI SEIKA KAISHA (JP) 1994-05-04 EP disclosed
EP-0495953-A1 10-(1-Hydoxyethyl)-11-oxo-1-azatricyclo(7.2.0.0(3,8)undec-2-ene-2-carboxylic acid esters and a process for preparing thereof. GLAXO SPA (IT) 1992-07-29 EP disclosed
WO-1992003437-A1 10(1-HYDROXYETHYL)-11-OXO-1-AZATRICYCLO[7.2.0.0.3.8]UNDEC-2-ENE-2-CARBOXYLIC ACID ESTERS AND A PROCESS FOR PREPARING THEREOF GLAXO S.P.A. (IT) 1992-03-05 WO disclosed
US-4918068-A ACTIVE AGAINST GRAM POSITIVE BACTERIA MEIJI SEIKA KAISHA, LTD. (JP) 1990-04-17 US disclosed
EP-0236231-A2 Novel cephem compounds MEIJI SEIKA KAISHA LTD. (JP) 1987-09-09 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-20020143043-A1 Substituted imidazolidine derivatives, their preparation, their use and pharmaceutical preparations including them VCAM1, ITGA1, ITGA4 TSHR 413/4885CHRM2 602/4885CHRM4 573/4885
US-20200199115-A1 OXOPICOLINAMIDE DERIVATIVE, PREPARATION METHOD THEREFOR AND PHARMACEUTICAL USE THEREOF F11, F2, F7 TSHR 4646/4885CHRM2 4825/4885CHRM4 4803/4885
US-11084808-B2 Oxopicolinamide derivative, preparation method therefor and pharmaceutical use thereof F11, F2, F7 TSHR 4617/4885CHRM2 4863/4885CHRM4 4843/4885

“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.