SCHEMBL874572

SCHEMBL874572

Nc1nc(C(F)(F)F)c(C(=O)O)s1

nearest known ligand 0.41

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.41
HPGD P15428 2/20 0.41
MAPT P10636 4/20 0.39
RORB Q92753 7/20 0.37
RORC P51449 1/20 0.37
TSHR P16473 1/20 0.36
POLB P06746 1/20 0.36
GPR35 Q9HC97 1/20 0.35
CYP1A2 P05177 1/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34

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
SCHEMBL874301 0.85 ALDH1A1 (0.40) ALDH1A1HPGDMAPTRORBRORC
SCHEMBL11330712 0.85 ALDH1A1 (0.41) ALDH1A1HPGDMAPTRORBRORC
SCHEMBL4526608 0.83 ALDH1A1 (0.44) ALDH1A1HPGDMAPTRORBRORC
SCHEMBL28070522 0.83 ALDH1A1 (0.41) ALDH1A1HPGDMAPTRORBRORC
Hydrazine SCHEMBL9675518 0.79 ALDH1A1 (0.52) ALDH1A1HPGDMAPTTSHRPOLB
SCHEMBL6114165 0.79 ALDH1A1 (0.41) ALDH1A1HPGDMAPTRORBRORC
SCHEMBL27687091 0.79 ALDH1A1 (0.48) ALDH1A1HPGDMAPTRORBRORC
SCHEMBL1778181 0.78 ALDH1A1 (0.55) ALDH1A1HPGDMAPTTSHRPOLB
SCHEMBL9643819 0.78 MAPT (0.40) ALDH1A1HPGDMAPTTSHRPOLB
SCHEMBL873879 0.78 GPR35 (0.43) ALDH1A1HPGDMAPTTSHRPOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11999734-B2 Compounds and compositions for the treatment of cystic fibrosis FONDAZIONE ISTITUTO ITALIANO DI TECNOLOGIA (IT) 2024-06-04 US disclosed
EP-3820867-B1 COMPOUNDS AND COMPOSITIONS FOR THE TREATMENT OF CYSTIC FIBROSIS FONDAZIONE ST ITALIANO TECNOLOGIA (IT) 2023-09-13 EP disclosed
US-20210292324-A1 COMPOUNDS AND COMPOSITIONS FOR THE TREATMENT OF CYSTIC FIBROSIS ISTITUTO GIANNINA GASLINI (IT) 2021-09-23 US disclosed
CN-104844578-B 5 membered heterocyclic amides and relevant compound H.隆德贝克有限公司 2018-06-19 CN disclosed
CN-106632134-A 2-(4-thiazolinone-2-imino)thiazole-5-carboxylate and preparation method and application thereof 湖南大学 2017-05-10 CN disclosed
CN-105859707-A (R)-N-(thiazole-2-yl)-2-[4-(quinoxaline-2-oxy) phenoxy] amide derivative and preparation method and application thereof 河北大学 2016-08-17 CN disclosed
CN-105753808-A Thiazole amide compounds, and preparation method and application thereof 湖南化工研究院有限公司 2016-07-13 CN disclosed
US-9133204-B2 5-membered heterocyclic amides and related compounds H. LUNDBECK A/S (DK) 2015-09-15 US disclosed
EP-2178865-B1 5-MEMBERED HETEROCYCLIC AMIDES AND RELATED COMPOUNDS LUNDBECK H AS (DK) 2015-08-19 EP disclosed
CN-104844578-A 5-MEMBERED HETEROCYCLIC AMIDES AND RELATED COMPOUNDS NEUROGEN CORP 2015-08-19 CN disclosed
CN-1764454-A Cyclic inhibitors of protein tyrosine kinases BRISTOL MYERS SQUIBB CO (US) 2006-04-26 CN disclosed
CN-1348370-A Cyclic protein tyrosine kinase inhibitors BRISTOL MYERS SQUIBB CO (US) 2002-05-08 CN disclosed
EP-1091958-A1 SALTS OF PAROXETINE SMITHKLINE BEECHAM PLC (GB) 2001-04-18 EP disclosed
WO-2000001692-A1 SALTS OF PAROXETINE SMITHKLINE BEECHAM PLC (GB) 2000-01-13 WO disclosed
US-4602454-A PLANT SAFENING AGENTS, SEEDS CHLOROACETAMIDE HERBICIDES MONSANTO COMPANY (US) 1986-07-29 US disclosed
US-4602937-A PLANT SAFENING AGENTS, ACETAMIDE HERBICIDE MONSANTO COMPANY (US) 1986-07-29 US disclosed
US-4586948-A 2,4-disubstituted-5-thiazole-carboxylic acids and derivatives MONSANTO COMPANY (US) 1986-05-06 US disclosed
US-4437876-A PLANT SAFENING AGENTS FOR ACETAMIDE HERBICIDES MONSANTO COMPANY (US) 1984-03-20 US disclosed
US-4437875-A PLANT SAFENING AGENT FOR ACETAMIDE HERBICIDE MONSANTO COMPANY (US) 1984-03-20 US disclosed
US-4199506-A REDUCES HERBICIDAL INJURY TO PLATNS DUE TO ACETAMIDE HERBICIDES MONSANTO COMPANY (US) 1980-04-22 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-11999734-B2 Compounds and compositions for the treatment of cystic fibrosis CFTR, ABCB11, ABCC5 ALDH1A1 2608/4885HPGD 1681/4885MAPT 4258/4885
US-20210292324-A1 COMPOUNDS AND COMPOSITIONS FOR THE TREATMENT OF CYSTIC FIBROSIS CFTR, ABCB11, ABCC5 ALDH1A1 2608/4885HPGD 1681/4885MAPT 4258/4885

“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.