SCHEMBL3282137

SCHEMBL3282137

CC(C)(C)c1ccc(-c2cc[nH]c(=O)c2)cc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 2/20 0.58
BTK Q06187 5/20 0.50
KIF11 P52732 3/20 0.42
ALDH2 P05091 3/20 0.42
DHODH Q02127 1/20 0.40
MAP4K4 O95819 1/20 0.40
HDAC6 Q9UBN7 1/20 0.40
CA12 O43570 1/20 0.39
CA9 Q16790 1/20 0.39
XDH P47989 1/20 0.39
TNKS O95271 1/20 0.38
PARP1 P09874 1/20 0.38
TNKS2 Q9H2K2 1/20 0.38
NPC1 O15118 1/20 0.38
ALDH1A1 P00352 1/20 0.38
PLA2G1B P04054 1/20 0.38
NFKB1 P19838 1/20 0.38
CASP3 P42574 1/20 0.38
RAB9A P51151 1/20 0.38
NFKB2 Q00653 1/20 0.38

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
SCHEMBL15394541 0.82 NOTUM (0.59) NOTUMBTKKIF11ALDH2HDAC6
SCHEMBL133043 0.81 NOTUM (0.58) NOTUMKIF11ALDH2DHODHMAP4K4
SCHEMBL6042142 0.79 NOTUM (0.77) NOTUMALDH2MAP4K4HDAC6L3MBTL1
SCHEMBL94548 0.79 NOTUM (0.64) NOTUMALDH2MAP4K4HDAC6PARP1
SCHEMBL2054595 0.78 NOTUM (0.42) NOTUMBTKKIF11HDAC6NPC1
SCHEMBL25065125 0.76 NOTUM (0.47) NOTUMBTKALDH2MAP4K4HDAC6
SCHEMBL22560194 0.76 BTK (0.43) NOTUMBTKMAP4K4HDAC6XDH
SCHEMBL4231200 0.75 NOTUM (0.64) NOTUMBTKALDH2MAP4K4HDAC6
SCHEMBL3476831 0.75 NOTUM (0.64) NOTUMALDH2MAP4K4ALDH1A1
SCHEMBL3901501 0.75 NOTUM (0.64) NOTUMALDH2MAP4K4HDAC6CA12

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7709501-B2 Vanilloid receptor ligands and their use in treatments AMGEN INC. (US) 2010-05-04 US disclosed
US-7709501-B2 Vanilloid receptor ligands and their use in treatments AMGEN INC. (US) 2010-05-04 US disclosed
US-7709501-B2 Vanilloid receptor ligands and their use in treatments AMGEN INC. (US) 2010-05-04 US disclosed
WO-2007076104-A1 VANILLOID RECEPTOR LIGANDS AND THEIR USE IN TREATMENTS AMGEN INC. (US) 2007-07-05 WO disclosed
US-20070149513-A1 Vanilloid receptor ligands and their use in treatments AMGEN INC. 2007-06-28 US disclosed
US-20070149513-A1 Vanilloid receptor ligands and their use in treatments AMGEN INC. 2007-06-28 US disclosed
US-20070149513-A1 Vanilloid receptor ligands and their use in treatments AMGEN INC. 2007-06-28 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-20070149513-A1 Vanilloid receptor ligands and their use in treatments TRPV1, TRPV3, TRPV2 NOTUM 4484/4885BTK 835/4885KIF11 2862/4885

“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.