SCHEMBL3963219

SCHEMBL3963219

FC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)c1ccc(Br)cc1

nearest known ligand 0.41

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
CA5A P35218 1/20 0.41
CA9 Q16790 1/20 0.41
LMNA P02545 1/20 0.40
CYP2A6 P11509 1/20 0.36
TRPV1 Q8NER1 1/20 0.32
KDM4E B2RXH2 1/20 0.30

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
SCHEMBL7138748 1.00 CA1 (0.41) CA1CA2CA5ACA9LMNA
SCHEMBL8769941 1.00 CA1 (0.41) CA1CA2CA5ACA9LMNA
SCHEMBL5143771 0.98 CA1 (0.42) CA1CA2CA5ACA9LMNA
SCHEMBL19056950 0.93 CA1 (0.45) CA1CA2CA5ACA9CYP2A6
SCHEMBL14577302 0.91 CA1 (0.43) CA1CA2CA5ACA9LMNA
SCHEMBL19056952 0.91 CA1 (0.46) CA1CA2CA5ACA9CYP2A6
SCHEMBL673282 0.88 LMNA (0.43) CA1CA2LMNA
SCHEMBL5239662 0.85 CA1 (0.46) CA1CA2CA5ACA9CYP2A6
Biphenyl SCHEMBL6131233 0.85 ALDH1A1 (0.48) CA1CA2CA5ACA9TRPV1
SCHEMBL2963352 0.81 ALDH1A1 (0.42) LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8399684-B2 Sulfonamide-based organocatalysts and method for their use STATE OF OREGON ACTING BY AND THROUGH THE STATE BOARD OF HIGHER EDUCATION ON BEHALF OF OREGON STATE UNIVERSITY (US) 2013-03-19 US disclosed
US-7576245-B2 Fluorous tagging and scavenging reactants and methods of synthesis and use thereof FLUOROUS TECHNOLOGIES INCORPORATED (US) 2009-08-18 US disclosed
WO-2009039181-A2 SULFONAMIDE-BASED ORGANOCATALYSTS AND METHOD FOR THEIR USE STATE OF OREGON ACTING BY & THROUGH THE STATE BOARD OF HIGHER EDUCATION ON BEHALF OF OR. STATE UNIV. (US) 2009-03-26 WO disclosed
US-20060128957-A1 Fluorous tagging and scavenging reactants and methods of synthesis and use thereof FLUOROUS TECHNOLOGIES INCORPORATED 2006-06-15 US disclosed
US-7060850-B2 Fluorous tagging and scavenging reactants and methods of synthesis and use thereof FLUOROUS TECHNOLOGIES INCORPORATED (US) 2006-06-13 US disclosed
US-20040073054-A1 New fluorous tagging and scavenging reactants and methods of synthesis and use thereof FLUOROUS TECHNOLOGIES, INC. 2004-04-15 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-20040073054-A1 New fluorous tagging and scavenging reactants and methods of synthesis and use thereof THEM6, NOTUM, RNF31 CA1 3007/4885CA2 3304/4885CA5A 4084/4885
US-20060128957-A1 Fluorous tagging and scavenging reactants and methods of synthesis and use thereof PFAS, CTSF, AFF2 CA1 2947/4885CA2 3196/4885CA5A 4199/4885

“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.