SCHEMBL16378754

SCHEMBL16378754

CC(C)(C)c1ccc(-c2ccc3sc(CBr)nc3c2)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 7/20 0.48
TNF P01375 1/20 0.44
NOD1 Q9Y239 1/20 0.44
HDAC3 O15379 1/20 0.43
HDAC1 Q13547 1/20 0.43
HDAC2 Q92769 1/20 0.43
HDAC8 Q9BY41 1/20 0.43
HDAC6 Q9UBN7 1/20 0.43
PIK3CD O00329 1/20 0.39
PIK3CA P42336 1/20 0.39
PIK3CB P42338 1/20 0.39
PIK3CG P48736 1/20 0.39
KIF11 P52732 1/20 0.38
AAK1 Q2M2I8 2/20 0.37
LOXL2 Q9Y4K0 1/20 0.37
NPC1 O15118 2/20 0.37
RAB9A P51151 2/20 0.37
GAA P10253 1/20 0.37
MAPK1 P28482 1/20 0.37
LIPG Q9Y5X9 1/20 0.36

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
SCHEMBL203384 0.82 PIK3CA (0.44) HDAC6PIK3CDPIK3CAPIK3CBPIK3CG
SCHEMBL2705988 0.81 LOXL2 (0.54) TRPV1HDAC6PIK3CDPIK3CAPIK3CB
SCHEMBL13862771 0.79 TRPV1 (0.58) TRPV1TNFNOD1HDAC3HDAC1
SCHEMBL15125604 0.77 TRPV1 (0.53) TRPV1TNFNOD1HDAC3HDAC1
SCHEMBL203790 0.77 ENPP3 (0.41) LOXL2NPC1RAB9AGAAMAPK1
SCHEMBL7082892 0.76 DYRK1A (0.49) TRPV1
SCHEMBL12212172 0.75 LIPG (0.55) TRPV1HDAC3HDAC1HDAC2HDAC8
SCHEMBL14791428 0.74 NPC1 (0.59) TRPV1TNFNOD1HDAC3HDAC1
SCHEMBL203263 0.73 MAPT (0.47) TRPV1HDAC6LOXL2NPC1RAB9A
SCHEMBL201370 0.72 DYRK1A (0.46) TRPV1HDAC6LOXL2NPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150011559-A1 ANTIMICROBIAL AGENTS TAXIS PHARMACEUTICALS, INC. 2015-01-08 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 (1 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-20150011559-A1 ANTIMICROBIAL AGENTS CFTR, MPO, ATF1 TRPV1 1881/4885TNF 461/4885NOD1 109/4885

“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.