SCHEMBL327489

SCHEMBL327489

NC(CC(=O)O)C(F)(F)F

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC22A6 Q4U2R8 1/20 0.39
GABRR1 P24046 2/20 0.39
LMNA P02545 1/20 0.39
TDP1 Q9NUW8 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.36
CACNA2D1 P54289 2/20 0.32
CACNB3 P54284 1/20 0.32
CACNA1C Q13936 1/20 0.32
PGR P06401 1/20 0.32
ADRA1A P35348 1/20 0.32
HTR2B P41595 1/20 0.32
CACNA2D2 Q9NY47 1/20 0.32
GABRP O00591 2/20 0.32
GABRD O14764 2/20 0.32
GABRA1 P14867 2/20 0.32
GABRB1 P18505 2/20 0.32
GABRG2 P18507 2/20 0.32
GABRB3 P28472 2/20 0.32
GABRA5 P31644 2/20 0.32
GABRA3 P34903 2/20 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
SCHEMBL15083296 1.00 SLC22A6 (0.39) SLC22A6GABRR1LMNATDP1SMN1; SMN2
SCHEMBL14533751 1.00 SLC22A6 (0.39) SLC22A6GABRR1LMNATDP1SMN1; SMN2
SCHEMBL11196827 0.79 ALOX15 (0.31) LMNATDP1CYP1A2
SCHEMBL19014337 0.77 ALDH1A1 (0.42) TDP1GRIK1
SCHEMBL28700671 0.77 CPA1 (0.36) CYP1A2
SCHEMBL6513458 0.77 GABRR1 (0.33) SLC22A6GABRR1LMNATDP1SMN1; SMN2
SCHEMBL8722167 0.77 ALDH1A1 (0.36) SLC22A6LMNATDP1
SCHEMBL11227199 0.75 GABRP (0.50) LMNAGABRPGABRDGABRA1GABRB1
SCHEMBL31059816 0.75 GABRP (0.50) LMNAGABRPGABRDGABRA1GABRB1
SCHEMBL23586833 0.74 SLC22A6 (0.39) SLC22A6GABRR1LMNATDP1SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2459182-B1 INJECTABLE FORMULATION FOR TREATMENT AND PROTECTION OF PATIENTS HAVING AN INFLAMMATORY REACTION OR AN ISCHEMIA-REPERFUSION EVENT UNIV OF ZÜRICH (CH) 2017-09-06 EP claimed
US-9296678-B2 Injectable formulation for treatment and protection of patients having an Inflammatory Reaction or an Ischemia-reperfusion event UNIVERSITY OF ZURICH (CH) 2016-03-29 US claimed
US-20140100278-A1 Injectable Formulation for Treatment and Protection of Patients Having an Inflammatory Reaction or an Ischemia-Reperfusion Event ETH ZURICH (CH) 2014-04-10 US claimed
US-20120219596-A1 INJECTABLE FORMULATION FOR TREATMENT AND PROTECTION OF PATIENTS HAVING AN INFLAMMATORY REACTION OR AN ISCHEMIA-REPERFUSION EVENT Stark, Wendelin (CH) 2012-08-30 US claimed
EP-2459182-A1 INJECTABLE FORMULATION FOR TREATMENT AND PROTECTION OF PATIENTS HAVING AN INFLAMMATORY REACTION OR AN ISCHEMIA-REPERFUSION EVENT University of Zürich (CH) 2012-06-06 EP claimed
WO-2011012283-A1 INJECTABLE FORMULATION FOR TREATMENT AND PROTECTION OF PATIENTS HAVING AN INFLAMMATORY REACTION OR AN ISCHEMIA-REPERFUSION EVENT UNIVERSITY OF ZURICH (CH) 2011-02-03 WO claimed
US-20030194378-A1 Novel aerosol formulation containing a polar fluorinated molecule ASTRAZENECA AB (SE) 2003-10-16 US claimed
EP-1303258-A1 NOVEL AEROSOL FORMULATION CONTAINING A POLAR FLUORINATED MOLECULE AstraZeneca AB (SE) 2003-04-23 EP claimed
WO-2002003958-A1 NOVEL AEROSOL FORMULATION CONTAINING A POLAR FLUORINATED MOLECULE ASTRAZENECA AB (SE) 2002-01-17 WO claimed
EP-4262788-B1 UREA OREXIN RECEPTOR AGONISTS MERCK SHARP & DOHME LLC (US) 2026-01-21 EP disclosed
US-20250367300-A1 Nanomaterial and Methods of Use Thereof UNIVERSITY OF CONNECTICUT (US) 2025-12-04 US disclosed
US-20250302762-A1 NANOMATERIAL DELIVERY VEHICLE AND METHOD OF USE THEREOF UNIVERSITY OF CONNECTICUT (US) 2025-10-02 US disclosed
US-20250302971-A1 Therapeutic Nanomaterials UNIV CONNECTICUT (US) 2025-10-02 US disclosed
EP-4622996-A1 CONTROL OF NANOCAGE SELF-ASSEMBLY King's College London (GB) 2025-10-01 EP disclosed
WO-1997008145-A1 META-GUANIDINE, UREA, THIOUREA OR AZACYCLIC AMINO BENZOIC ACID DERIVATIVES AS INTEGRIN ANTAGONISTS G.D. SEARLE & CO. (US) 1997-03-06 WO disclosed
US-5563158-A CARDIOVASCULAR DISORDERS THE DUPONT MERCK PHARMACEUTICAL COMPANY (US) 1996-10-08 US disclosed
WO-1995018111-A1 COMPOUNDS CONTAINING BASIC AND ACIDIC TERMINI USEFUL AS FIBRINOGEN RECEPTOR ANTAGONISTS THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) 1995-07-06 WO disclosed
EP-0024965-B1 FLUORINATED METHYL BETA-ALANINE DERIVATIVES, THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM MERRELL TORAUDE ET COMPAGNIE (FR) 1983-04-27 EP disclosed
US-4375477-A ENZYME INHIBITORS MERRELL TORAUDE ET COMPAGNIE (FR) 1983-03-01 US disclosed
EP-0024965-A1 Fluorinated methyl beta-alanine derivatives, their preparation and pharmaceutical compositions containing them MERRELL TORAUDE ET COMPAGNIE (FR) 1981-03-11 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 (5 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-20250302971-A1 Therapeutic Nanomaterials TIE1, TEKT1, POLRMT SLC22A6 1570/4885GABRR1 2369/4885LMNA 1574/4885
US-20250367300-A1 Nanomaterial and Methods of Use Thereof EPCAM, CD47, JAK2 SLC22A6 2122/4885GABRR1 2314/4885LMNA 3200/4885
US-20250302762-A1 NANOMATERIAL DELIVERY VEHICLE AND METHOD OF USE THEREOF JAK2, JAK1, CHMP4B SLC22A6 191/4885GABRR1 1184/4885LMNA 1531/4885
US-20120219596-A1 INJECTABLE FORMULATION FOR TREATMENT AND PROTECTION OF PATIENTS HAVING AN INFLAMMATORY REACTION OR AN ISCHEMIA-REPERFUSION EVENT HIF1A, HIF1AN, PGF SLC22A6 1330/4885GABRR1 1145/4885LMNA 1411/4885
US-20140100278-A1 Injectable Formulation for Treatment and Protection of Patients Having an Inflammatory Reaction or an Ischemia-Reperfusion Event HIF1AN, HIF1A, PGF SLC22A6 1251/4885GABRR1 1119/4885LMNA 1627/4885

“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.