SCHEMBL368571

SCHEMBL368571

Oc1cc(F)c(F)c(F)c1F.[NaH]

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CES2 O00748 2/20 0.36
CES1 P23141 2/20 0.36
CA9 Q16790 2/20 0.36
CA3 P07451 1/20 0.36
CA6 P23280 1/20 0.36
CA5A P35218 1/20 0.36
CA14 Q9ULX7 1/20 0.36
CA5B Q9Y2D0 1/20 0.36
CA1 P00915 4/20 0.33
CA2 P00918 3/20 0.33
CA4 P22748 2/20 0.33
CA12 O43570 2/20 0.33
ADRB2 P07550 1/20 0.33
CYP3A4 P08684 1/20 0.33
HSD17B10 Q99714 1/20 0.33
CA7 P43166 1/20 0.33
CA13 Q8N1Q1 1/20 0.33
ADRA2A P08913 1/20 0.33
ADRA2B P18089 1/20 0.33
ADRA2C P18825 1/20 0.33

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
SCHEMBL258682 0.97 CES2 (0.38) CES2CES1CA9CA3CA6
SCHEMBL29716720 0.97 CES2 (0.38) CES2CES1CA9CA3CA6
SCHEMBL29919382 0.94 CES2 (0.36) CES2CES1CA9CA3CA6
SCHEMBL8986519 0.89 CES2 (0.33) CES2CES1CA9CA3CA6
Chloroform SCHEMBL9256697 0.87 ADRA2A (0.34) CES2CES1CA9CA3CA6
SCHEMBL516276 0.81 CA9 (0.37) CES2CES1CA9CA3CA6
Trifluoroacetic Acid SCHEMBL7263980 0.79 CES1 (0.37) CES2CES1CA9CA3CA6
SCHEMBL5509678 0.79 CES2 (0.38) CES2CES1CA9CA3CA6
SCHEMBL29061953 0.77 CA1 (0.41) CES2CES1CA1CA2CA4
SCHEMBL515819 0.77 CES2 (0.36) CES2CES1CA9CA3CA6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11890382-B2 Edible plant-derived microvesicle compositions for diagnosis and treatment of disease UNIVERSITY OF LOUISVILLE RESEARCH FOUNDATION, INC. (US) 2024-02-06 US disclosed
US-20230176038-A1 Methods for Identifying Modulators of Insect Transient Receptor Potential Channels BASF CORP (US) 2023-06-08 US disclosed
US-20230149316-A1 EDIBLE PLANT-DERIVED MICROVESICLE COMPOSITIONS FOR DIAGNOSIS AND TREATMENT OF DISEASE UNIVERSITY OF LOUISVILLE RESEARCH FOUNDATION, INC. (US) 2023-05-18 US disclosed
WO-2021133566-A1 METHODS FOR IDENTIFYING MODULATORS OF INSECT TRANSIENT RECEPTOR POTENTIAL CHANNELS BASF CORPORATION (US) 2021-07-01 WO disclosed
EP-3311172-B1 METHODS FOR IDENTIFYING COMPOUNDS THAT DIRECTLY BIND TO INSECT TRANSIENT RECEPTOR POTENTIAL CHANNELS BASF SE (DE) 2021-05-19 EP disclosed
EP-3087391-B1 METHODS FOR DETERMINING MODULATORS OF INSECT TRANSIENT RECEPTOR POTENTIAL V (TRPV) CHANNEL BASF SE (DE) 2021-05-19 EP disclosed
EP-3735982-A1 TARGETING GDF6 AND BMP SIGNALING FOR ANTI-MELANOMA THERAPY The University of Massachusetts (US) 2020-11-11 EP disclosed
US-20200246438-A1 TARGETING GDF6 AND BMP SIGNALING FOR ANTI-MELANOMA THERAPY UNIV MASSACHUSETTS (US) 2020-08-06 US disclosed
US-20200188311-A1 EDIBLE PLANT-DERIVED MICROVESICLE COMPOSITIONS FOR DIAGNOSIS AND TREATMENT OF DISEASE UNIVERSITY OF LOUISVILLE RESEARCH FOUNDATION, INC. (US) 2020-06-18 US disclosed
EP-3268025-B1 TARGETING GDF6 AND BMP SIGNALING FOR ANTI-MELANOMA THERAPY UNIV MASSACHUSETTS (US) 2020-05-06 EP disclosed
WO-2003004604-A9 PHAGE DISPLAYED PDZ DOMAIN LIGANDS GENENTECH INC (US) 2004-04-15 WO disclosed
WO-2004003554-A1 A METHOD FOR THE DETECTION OF APOPTOSIS UNIVERSITY OF LOUISVILLE RESEARCH FOUNDATION, INC. (US) 2004-01-08 WO disclosed
US-20030235611-A1 Direct cellular energy delivery system NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2003-12-25 US disclosed
WO-2003096973-A2 A DIRECT CELLULAR ENERGY DELIVERY SYSTEM UNIVERSITY OF LOUISVILLE RESEARCH FOUNDATION, INC. (US) 2003-11-27 WO disclosed
WO-2003097792-A2 POLYPEPTIDE IMMOBILIZATION THE UNIVERSITY OF CHICAGO (US) 2003-11-27 WO disclosed
WO-2003086174-A2 A NEW METHOD FOR THE DIAGNOSIS AND PROGNOSIS OF MALIGNANT DISEASES UNIVERSITY OF LOUISVILLE RESEARCH FOUNDATION, INC. (US) 2003-10-23 WO disclosed
US-20030194754-A1 Method for the diagnosis and prognosis of malignant diseases NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2003-10-16 US disclosed
US-20030148264-A1 Phage displayed PDZ domain ligands GENENTECH, INC. 2003-08-07 US disclosed
US-20030119054-A1 Polypeptide immobilization NATIONAL SCIENCE FOUNDATION 2003-06-26 US disclosed
WO-2003004604-A2 PHAGE DISPLAYED PDZ DOMAIN LIGANDS GENENTECH, INC. (US) 2003-01-16 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 (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-20030148264-A1 Phage displayed PDZ domain ligands PDLIM5, CD2BP2, GOPC CES2 4476/4885CES1 3678/4885CA9 4502/4885
US-20030119054-A1 Polypeptide immobilization SURF4, QPCTL, QPCT CES2 2830/4885CES1 2109/4885CA9 4747/4885
US-20030235611-A1 Direct cellular energy delivery system NSF, MTREX, SLC25A6 CES2 1696/4885CES1 1149/4885CA9 4240/4885

“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.