SCHEMBL6910253

SCHEMBL6910253

Cc1ccc(C(C)(C)[C@H](N)C(=O)O)cc1

nearest known ligand 0.50

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 10/20 0.50
ALDH1A1 P00352 4/20 0.42
MAPT P10636 3/20 0.42
PTGS1 P23219 1/20 0.42
TSHR P16473 1/20 0.41
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
NPSR1 Q6W5P4 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
SLC1A3 P43003 1/20 0.38
SLC1A2 P43004 1/20 0.38
SLC1A1 P43005 1/20 0.38
GAA P10253 1/20 0.36
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
CA5A P35218 1/20 0.36
CA9 Q16790 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
SCHEMBL4399040 0.85 KIF11 (0.45) KIF11ALDH1A1MAPTPTGS1TSHR
SCHEMBL21086716 0.85 KIF11 (0.42) KIF11ALDH1A1MAPTTSHRNPC1
SCHEMBL4399038 0.85 KIF11 (0.45) KIF11ALDH1A1MAPTPTGS1TSHR
SCHEMBL27685329 0.84 KIF11 (0.50) KIF11ALDH1A1MAPTPTGS1
SCHEMBL4401812 0.84 KIF11 (0.50) KIF11ALDH1A1MAPTPTGS1
SCHEMBL4401809 0.84 KIF11 (0.50) KIF11ALDH1A1MAPTPTGS1
SCHEMBL23176910 0.83 KIF11 (0.45) KIF11ALDH1A1MAPTPTGS1SLC1A3
SCHEMBL27644364 0.83 GRIN2D (0.47) KIF11ALDH1A1MAPTPTGS1NPC1
SCHEMBL6670877 0.83 KIF11 (0.45) KIF11ALDH1A1MAPTPTGS1NPC1
SCHEMBL6670880 0.83 KIF11 (0.45) KIF11ALDH1A1MAPTPTGS1NPC1

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 29 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2566494-B1 CXCR4 RECEPTOR COMPOUNDS ACER THERAPEUTICS INC (US) 2017-11-29 EP disclosed
US-20160159861-A1 APJ Receptor Compounds ANCHOR THERAPEUTICS, INC. (US) 2016-06-09 US disclosed
US-20160159861-A1 APJ Receptor Compounds ANCHOR THERAPEUTICS, INC. (US) 2016-06-09 US disclosed
US-9155795-B2 CXCR4 receptor compounds ANCHOR THERAPEUTICS, INC. (US) 2015-10-13 US disclosed
US-9155795-B2 CXCR4 receptor compounds ANCHOR THERAPEUTICS, INC. (US) 2015-10-13 US disclosed
US-9096646-B2 CXCR4 receptor compounds ANCHOR THERAPEUTICS, INC. (US) 2015-08-04 US disclosed
US-9096646-B2 CXCR4 receptor compounds ANCHOR THERAPEUTICS, INC. (US) 2015-08-04 US disclosed
WO-2015010045-A1 APJ RECEPTOR COMPOUNDS ANCHOR THERAPEUTICS, INC. (US) 2015-01-22 WO disclosed
US-20150011466-A1 APJ Receptor Compounds ANCHOR THERAPEUTICS INC (US) 2015-01-08 US disclosed
US-20150011466-A1 APJ Receptor Compounds ANCHOR THERAPEUTICS INC (US) 2015-01-08 US disclosed
US-20110300167-A1 CXCR5 RECEPTOR COMPOUNDS ANCHOR THERAPEUTICS, INC. 2011-12-08 US disclosed
US-20110301087-A1 CRF1 RECEPTOR COMPOUNDS ANCHOR THERAPEUTICS, INC. 2011-12-08 US disclosed
US-20110294738-A1 PTHR1 RECEPTOR COMPOUNDS ANTHOR THERAPEUTICS, INC. 2011-12-01 US disclosed
US-20110294738-A1 PTHR1 RECEPTOR COMPOUNDS ANTHOR THERAPEUTICS, INC. 2011-12-01 US disclosed
WO-2011106703-A2 CXCR4 RECEPTOR COMPOUNDS ANCHOR THERAPEUTICS, INC. (US) 2011-09-01 WO disclosed
WO-2010053547-A2 CXCR5 RECEPTOR COMPOUNDS ANCHOR THERAPEUTICS, INC. (US) 2010-05-14 WO disclosed
WO-2010053550-A2 CXCR4 RECEPTOR COMPOUNDS ANCHOR THERAPEUTICS, INC. (US) 2010-05-14 WO disclosed
WO-2010053548-A2 PTHR1 RECEPTOR COMPOUNDS ANCHOR THERAPEUTICS, INC. (US) 2010-05-14 WO disclosed
WO-2010053546-A2 CRF1 RECEPTOR COMPOUNDS ANCHOR THERAPEUTICS, INC. (US) 2010-05-14 WO disclosed
WO-2010053545-A2 APJ RECEPTOR COMPOUNDS ANCHOR THERAPEUTICS, INC. (US) 2010-05-14 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 (5 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-20110294738-A1 PTHR1 RECEPTOR COMPOUNDS PTH1R, MC1R, CASR KIF11 3925/4885ALDH1A1 4713/4885MAPT 683/4885
US-20150011466-A1 APJ Receptor Compounds APLNR, AP1G1, AP2B1 KIF11 2633/4885ALDH1A1 3645/4885MAPT 2434/4885
US-20110300167-A1 CXCR5 RECEPTOR COMPOUNDS CXCR5, CXCR1, CCR5 KIF11 2852/4885ALDH1A1 4843/4885MAPT 4577/4885
US-20110301087-A1 CRF1 RECEPTOR COMPOUNDS CRHR1, CRH, CRHR2 KIF11 3271/4885ALDH1A1 4197/4885MAPT 1149/4885
US-20160159861-A1 APJ Receptor Compounds APLNR, AP1G1, AP2B1 KIF11 2633/4885ALDH1A1 3645/4885MAPT 2434/4885

“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.