SCHEMBL3077688

SCHEMBL3077688

Cc1cc(C(=O)O)n(Cc2cccc(C(F)(F)F)c2)n1

nearest known ligand 0.54

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
P2RY14 Q15391 1/20 0.54
ABHD6 Q9BV23 1/20 0.53
GRN P28799 2/20 0.51
SORT1 Q99523 2/20 0.51
LMNA P02545 1/20 0.49
RECQL P46063 1/20 0.49
PTGER4 P35408 3/20 0.48
POLB P06746 1/20 0.48
ALPL P05186 1/20 0.48
ATM Q13315 1/20 0.46
KCNJ6 P48051 1/20 0.46
KCNJ5 P48544 1/20 0.46
KCNJ3 P48549 1/20 0.46
KDM4C Q9H3R0 1/20 0.46
PTGER1 P34995 1/20 0.46
MAPT P10636 1/20 0.45
HTT P42858 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
TP53 P04637 1/20 0.45

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
SCHEMBL7744394 0.86 NPSR1 (0.64) P2RY14LMNARECQLMAPTL3MBTL1
SCHEMBL5178107 0.82 GRN (0.67) GRNSORT1POLBKCNJ6KCNJ5
SCHEMBL1902360 0.78 KMT2A (0.57) P2RY14LMNARECQLPOLBALPL
SCHEMBL7234546 0.78 CCR2 (0.51) GRNSORT1POLBL3MBTL1
SCHEMBL1198552 0.78 ALDH1A1 (0.51) LMNARECQLALPLPTGER1HTT
SCHEMBL22000813 0.76 HDAC3 (0.55) P2RY14GRNSORT1MAPTHTT
SCHEMBL2079137 0.76 MAPT (0.62) P2RY14GRNSORT1MAPTHTT
SCHEMBL1897475 0.75 NPSR1 (0.48) P2RY14LMNARECQLKCNJ6KCNJ5
SCHEMBL147011 0.75 NPSR1 (0.65) P2RY14LMNARECQLKCNJ6KCNJ5
SCHEMBL24798724 0.75 P2RY14 (0.52) P2RY14ABHD6PTGER4ALPLATM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20030171403-A1 Blockade of voltage dependent sodium channels UNIVERSITY COLLEGE LONDON (GB) 2003-09-11 US claimed
EP-1252156-A1 BLOCKADE OF VOLTAGE DEPENDENT SODIUM CHANNELS University College London (GB) 2002-10-30 EP claimed
WO-2001057024-A1 BLOCKADE OF VOLTAGE DEPENDENT SODIUM CHANNELS UNIVERSITY COLLEGE LONDON (GB) 2001-08-09 WO claimed
US-7790761-B2 Blockade of voltage dependent sodium channels UNIVERSITY COLLEGE LONDON (GB) 2010-09-07 US disclosed
US-20060100248-A1 Blockade of voltage dependent sodium channels GARTHWAITE GITI 2006-05-11 US disclosed
US-7009056-B2 Blockade of voltage dependent sodium channels UNIVERSITY COLLEGE LONDON (GB) 2006-03-07 US disclosed
US-20030171403-A1 Blockade of voltage dependent sodium channels UNIVERSITY COLLEGE LONDON (GB) 2003-09-11 US disclosed
EP-1252156-A1 BLOCKADE OF VOLTAGE DEPENDENT SODIUM CHANNELS University College London (GB) 2002-10-30 EP disclosed
WO-2001057024-A1 BLOCKADE OF VOLTAGE DEPENDENT SODIUM CHANNELS UNIVERSITY COLLEGE LONDON (GB) 2001-08-09 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 (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-20030171403-A1 Blockade of voltage dependent sodium channels CACNA1F, SCNN1B, CACNA1B P2RY14 1434/4885ABHD6 4527/4885GRN 2010/4885
US-20060100248-A1 Blockade of voltage dependent sodium channels CACNA1I, CACNA1F, CACNA1C P2RY14 1237/4885ABHD6 4500/4885GRN 1919/4885

“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.