SCHEMBL3963217

SCHEMBL3963217

FC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)CCc1ccc(Br)cc1

nearest known ligand 0.41

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 3/20 0.41
HTR2A P28223 1/20 0.41
CA1 P00915 6/20 0.33
CA2 P00918 6/20 0.33
LMNA P02545 1/20 0.33
IDO1 P14902 2/20 0.31
NPC1 O15118 1/20 0.31
HPGD P15428 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31

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
SCHEMBL13924851 1.00 TAAR1 (0.41) TAAR1HTR2ACA1CA2LMNA
SCHEMBL6761019 1.00 TAAR1 (0.41) TAAR1HTR2ACA1CA2LMNA
SCHEMBL2761717 0.98 TAAR1 (0.42) TAAR1HTR2ACA1CA2IDO1
SCHEMBL9340660 0.92 TAAR1 (0.43) TAAR1HTR2AIDO1NPC1HPGD
SCHEMBL3396819 0.81 CA1 (0.39) TAAR1CA1CA2
SCHEMBL18421431 0.81 CA2 (0.33) CA1CA2
SCHEMBL30891617 0.81 GFER (0.46) TAAR1CA1CA2
SCHEMBL12727813 0.81 CYP1A2 (0.41) TAAR1CA1CA2IDO1NPC1
SCHEMBL3426890 0.81 CA2 (0.35) CA1CA2
SCHEMBL12971204 0.81 CA1 (0.33) CA1CA2

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 TAAR1 1567/4885HTR2A 2949/4885CA1 3007/4885
US-20060128957-A1 Fluorous tagging and scavenging reactants and methods of synthesis and use thereof PFAS, CTSF, AFF2 TAAR1 1454/4885HTR2A 2477/4885CA1 2947/4885

“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.