SCHEMBL8990506

SCHEMBL8990506

COC(=O)OC(Cl)C(C)C

nearest known ligand 0.37

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.37
CA14 Q9ULX7 2/20 0.32
CA12 O43570 1/20 0.32
TSHR P16473 1/20 0.32
ALDH1A1 P00352 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
SCHEMBL3359533 0.89 TSHR (0.35) TSHR
SCHEMBL5761384 0.82 TSHR (0.42) CA14CA12TSHR
SCHEMBL7735643 0.81 ALDH1A1 (0.33) SMN1; SMN2ALDH1A1
SCHEMBL1036103 0.78
SCHEMBL20661277 0.77 ALDH1A1 (0.50) ALDH1A1
SCHEMBL25365898 0.76
SCHEMBL1171077 0.76
SCHEMBL7403671 0.76
SCHEMBL2101489 0.76
SCHEMBL25807 0.76

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114728883-B Ibuprofen ester prodrug, pharmaceutical composition, preparation method and application 南京海融医药科技股份有限公司 2024-07-12 CN disclosed
CN-113831342-B Ketorolac derivative, pharmaceutical composition, and preparation method and application thereof 南京海融医药科技股份有限公司 2023-09-12 CN disclosed
EP-3587403-B1 N-SUBSTITUTED IMIDAZOLE CARBOXYLATE COMPOUND, PREPARATION METHOD AND USE WEST CHINA HOSPITAL SICHUAN UNIV (CN) 2023-08-23 EP disclosed
US-20230134672-A1 KETOROLACO DERIVATIVE, PHARMACEUTICAL COMPOSITION AND PREPARATION METHOD THEREFOR AND USE THEREOF NANJING HERON PHARMACEUTICAL SCIENCE AND TECHNOLOGY CO., LTD. (CN) 2023-05-04 US disclosed
US-20230134672-A1 KETOROLACO DERIVATIVE, PHARMACEUTICAL COMPOSITION AND PREPARATION METHOD THEREFOR AND USE THEREOF NANJING HERON PHARMACEUTICAL SCIENCE AND TECHNOLOGY CO., LTD. (CN) 2023-05-04 US disclosed
US-20230000812-A1 IBUPROFEN ESTER PRODRUG, PHARMACEUTICAL COMPOSITION, PREPARATION METHOD AND APPLICATION NANJING HERON PHARMACEUTICAL SCIENCE AND TECHNOLOGY CO., LTD. (CN) 2023-01-05 US disclosed
US-11208385-B2 N-substituted imidazole carboxylate compound, preparation method and use WEST CHINA HOSPITAL, SICHUAN UNIVERSITY (CN) 2021-12-28 US disclosed
CN-107652239-B N-substituted imidazole carboxylic ester compound, preparation method and application 四川大学华西医院 2020-08-04 CN disclosed
US-20200231546-A1 N-SUBSTITUTED IMIDAZOLE CARBOXYLATE COMPOUND, PREPARATION METHOD AND USE WEST CHINA HOSPITAL, SICHUAN UNIVERSITY (CN) 2020-07-23 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-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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (4 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-20230000812-A1 IBUPROFEN ESTER PRODRUG, PHARMACEUTICAL COMPOSITION, PREPARATION METHOD AND APPLICATION PTGER1, CYP4A11, FABP4 SMN1; SMN2 967/4885CA14 3653/4885CA12 3846/4885
US-20230134672-A1 KETOROLACO DERIVATIVE, PHARMACEUTICAL COMPOSITION AND PREPARATION METHOD THEREFOR AND USE THEREOF CYP51A1, CYP4A11, CYP4F11 SMN1; SMN2 3112/4885CA14 3748/4885CA12 3744/4885
US-11208385-B2 N-substituted imidazole carboxylate compound, preparation method and use NR3C1, CYP2E1, CYP3A5 SMN1; SMN2 1854/4885CA14 4144/4885CA12 4345/4885
US-20200231546-A1 N-SUBSTITUTED IMIDAZOLE CARBOXYLATE COMPOUND, PREPARATION METHOD AND USE CHRM1, CYP2C18, CYP2E1 SMN1; SMN2 735/4885CA14 4181/4885CA12 4447/4885

“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.