SCHEMBL2424952

SCHEMBL2424952

NC(=O)c1ccc(C(=O)O)c2cc[nH]c12

nearest known ligand 0.56

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
BTK Q06187 17/20 0.56
PDPK1 O15530 1/20 0.51
KEAP1 Q14145 1/20 0.44
IKBKB O14920 1/20 0.44
CHUK O15111 1/20 0.44

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
SCHEMBL11660386 0.88 KEAP1 (0.55) BTKPDPK1KEAP1
SCHEMBL9965010 0.81 BTK (0.65) BTKPDPK1
SCHEMBL30954333 0.81 BTK (0.56) BTKPDPK1
SCHEMBL16333767 0.81 BTK (0.56) BTKPDPK1IKBKBCHUK
SCHEMBL16382696 0.80 BTK (0.55) BTKPDPK1
SCHEMBL21481676 0.80 BTK (0.55) BTKPDPK1IKBKBCHUK
SCHEMBL9984063 0.80 BTK (0.55) BTKPDPK1
SCHEMBL21818677 0.78 KEAP1 (0.44) BTKKEAP1
SCHEMBL2595142 0.78 AURKA (0.46) KEAP1
SCHEMBL27205515 0.78 CSNK2A2 (0.46) KEAP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101910168-B Tropane compounds EXELIXIS INC 2014-07-30 CN disclosed
US-8012956-B2 Tropane compounds EXELIXIS, INC. (US) 2011-09-06 US disclosed
US-8012956-B2 Tropane compounds EXELIXIS, INC. (US) 2011-09-06 US disclosed
US-8012956-B2 Tropane compounds EXELIXIS, INC. (US) 2011-09-06 US disclosed
CN-101910168-A Tropane compounds EXELIXIS INC 2010-12-08 CN disclosed
EP-2074120-B1 TROPANE COMPOUNDS EXELIXIS INC (US) 2010-03-03 EP disclosed
EP-2074120-A1 TROPANE COMPOUNDS Exelixis, Inc. (US) 2009-07-01 EP disclosed
US-20090163471-A1 Tropane compounds EXELIXIS, INC. 2009-06-25 US disclosed
US-20090163471-A1 Tropane compounds EXELIXIS, INC. 2009-06-25 US disclosed
US-20090163471-A1 Tropane compounds EXELIXIS, INC. 2009-06-25 US disclosed
WO-2009055077-A1 TROPANE COMPOUNDS EXELIXIS, INC. (US) 2009-04-30 WO disclosed
WO-2009055077-A1 TROPANE COMPOUNDS EXELIXIS, INC. (US) 2009-04-30 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 (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-20090163471-A1 Tropane compounds ADRA1B, ADRA2B, ADRB2 BTK 4553/4885PDPK1 3955/4885KEAP1 4080/4885

“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.