SCHEMBL17054

SCHEMBL17054

OC(c1ccc(Br)cc1)(C(F)(F)F)C(F)(F)F

nearest known ligand 0.60

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
NR1H2 P55055 14/20 0.56
NR1H3 Q13133 14/20 0.56
MLYCD O95822 1/20 0.48
SMN1; SMN2 Q16637 2/20 0.47
CA1 P00915 1/20 0.43
CA2 P00918 1/20 0.43
CA5A P35218 1/20 0.43
CA9 Q16790 1/20 0.43

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
SCHEMBL16125053 0.89 NR1H2 (0.50) NR1H2NR1H3MLYCDSMN1; SMN2
SCHEMBL131990 0.87 NR1H2 (0.68) NR1H2NR1H3MLYCDSMN1; SMN2
Water SCHEMBL1684070 0.84 NR1H2 (0.65) NR1H2NR1H3MLYCDSMN1; SMN2
SCHEMBL24901413 0.79 NR1H2 (0.61) NR1H2NR1H3MLYCDSMN1; SMN2
SCHEMBL9621271 0.79 NR1H2 (0.60) NR1H2NR1H3MLYCDSMN1; SMN2
SCHEMBL12334379 0.79 RORC (0.77) SMN1; SMN2
SCHEMBL1516045 0.77 ESR1 (0.61) NR1H2NR1H3MLYCDSMN1; SMN2
SCHEMBL6808538 0.77 ESR1 (0.61) NR1H2NR1H3MLYCDSMN1; SMN2
SCHEMBL8021367 0.77 NR1H2 (0.58) NR1H2NR1H3MLYCDSMN1; SMN2
SCHEMBL18846 0.76 HSD11B1 (0.54) NR1H3CA1CA2CA5ACA9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240076297-A1 ADENOSINE A2A AND A2B RECEPTOR DUAL ANTAGONISTS FOR IMMUNO-ONCOLOGY MERCK SHARP & DOHME LLC (US) 2024-03-07 US disclosed
US-20230322785-A1 ADENOSINE A2A AND A2B RECEPTOR DUAL ANTAGONISTS FOR IMMUNO-ONCOLOGY MERCK SHARP & DOHME LLC (US) 2023-10-12 US disclosed
US-11785845-B2 Composition FUJIFILM CORPORATION (JP) 2023-10-10 US disclosed
EP-4185297-A1 ADENOSINE A2A AND A2B RECEPTOR DUAL ANTAGONISTS FOR IMMUNO-ONCOLOGY Merck Sharp & Dohme LLC (US) 2023-05-31 EP disclosed
CN-113666853-B Biaryl compounds useful as ROR gamma modulators 上海辉启生物医药科技有限公司 2023-04-18 CN disclosed
CN-113666853-A Biaryl compounds useful as ROR gamma modulators 上海辉启生物医药科技有限公司 2021-11-19 CN disclosed
CN-113666863-A Biaryl compounds useful as ROR gamma modulators 上海辉启生物医药科技有限公司 2021-11-19 CN disclosed
WO-2021228216-A1 BIARYL COMPOUND CAPABLE OF SERVING AS RORγ MODULATOR 上海辉启生物医药科技有限公司 2021-11-18 WO disclosed
WO-2021228215-A1 BIARYL COMPOUND CAPABLE OF SERVING AS RORγ REGULATOR 上海辉启生物医药科技有限公司 2021-11-18 WO disclosed
WO-2020045214-A1 RESIN COMPOSITION AND CURED FILM OBTAINED THEREFROM 東レ株式会社 2020-03-05 WO disclosed
US-5710170-A Tri-aryl ethane derivatives as PDE IV inhibitors MERCK FROSST CANADA, INC. (CA) 1998-01-20 US disclosed
WO-1997022586-A1 TRI-ARYL ETHANE DERIVATIVES AS PDE IV INHIBITORS MERCK FROSST CANADA INC. (CA) 1997-06-26 WO disclosed
US-5319131-A Reacting dimethyl 2-fluoromalonate with formaldehyde to form hydroxymethylated dimethyl 2-flurormalonate, hydrolysis, decarboxylation, dehydration then esterification with a hexafluoroalkylol HOECHST AKTIENGESELLSCHAFT (DE) 1994-06-07 US disclosed
US-5198925-A α-fluoroacrylic acid esters and polymers thereof HOECHST AKTIENGESELLSCHAFT 1993-03-30 US disclosed
CN-1010098-B Process for preparing alpha-fluoroacrylate polymers HOECHST AG (DE) 1990-10-24 CN disclosed
EP-0203462-B1 ALPHA-FLUOROACRYLIC-ACID ESTERS AND THEIR POLYMERS HOECHST AKTIENGESELLSCHAFT (DE) 1990-08-01 EP disclosed
CN-1006380-B Preparation method of alpha-fluoroacrylate and polymer thereof HOECHST AG (DE) 1990-01-10 CN disclosed
CN-1036209-A Process for preparing alpha-fluoroacrylate polymers HOECHST AG (DE) 1989-10-11 CN disclosed
CN-86103531-A Alpha-fluoroacrylates and polymers thereof 1987-01-28 CN disclosed
EP-0203462-A2 Alpha-fluoroacrylic-acid esters and their polymers HOECHST AKTIENGESELLSCHAFT (DE) 1986-12-03 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-20240076297-A1 ADENOSINE A2A AND A2B RECEPTOR DUAL ANTAGONISTS FOR IMMUNO-ONCOLOGY ADORA2A, ADORA2B, ADORA1 NR1H2 1871/4885NR1H3 2307/4885MLYCD 4794/4885
US-11785845-B2 Composition ADH1A, ADH1C, SLC19A2 NR1H2 794/4885NR1H3 515/4885MLYCD 3157/4885
US-20230322785-A1 ADENOSINE A2A AND A2B RECEPTOR DUAL ANTAGONISTS FOR IMMUNO-ONCOLOGY ADORA2A, ADORA2B, ADORA1 NR1H2 1969/4885NR1H3 2388/4885MLYCD 4804/4885

“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.