SCHEMBL4227252

SCHEMBL4227252

CC(=O)N(CCC(=O)O)C(=O)OC(C)(C)C

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 2/20 0.40
HDAC1 Q13547 1/20 0.40
HDAC2 Q92769 1/20 0.40
CA14 Q9ULX7 3/20 0.36
NAALAD2 Q9Y3Q0 1/20 0.35
CA1 P00915 3/20 0.33
CA7 P43166 2/20 0.33
CA12 O43570 2/20 0.33
PHF8 Q9UPP1 3/20 0.32
KDM2A Q9Y2K7 3/20 0.32
KDM6B O15054 2/20 0.32
KDM5C P41229 2/20 0.32
EGLN1 Q9GZT9 2/20 0.32
KDM4E B2RXH2 1/20 0.32
LMNA P02545 1/20 0.32
SLC15A2 Q16348 1/20 0.32
CA2 P00918 2/20 0.32
TSHR P16473 1/20 0.31
DGAT1 O75907 1/20 0.31
MEN1 O00255 1/20 0.31

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
SCHEMBL1626498 0.90 HDAC6 (0.40) HDAC6HDAC1HDAC2CA14NAALAD2
SCHEMBL20319924 0.81 CA14 (0.42) HDAC6HDAC1HDAC2CA14CA1
SCHEMBL28378832 0.81 HDAC6 (0.39) HDAC6HDAC1HDAC2CA14CA1
SCHEMBL18281227 0.79 HDAC6 (0.41) HDAC6HDAC1HDAC2CA14LMNA
SCHEMBL2499626 0.79 CA14 (0.50) HDAC6HDAC1HDAC2CA14NAALAD2
SCHEMBL4888113 0.78 HDAC1 (0.44) HDAC6HDAC1HDAC2CA14LMNA
SCHEMBL9426075 0.77 CA1 (0.35) HDAC6HDAC1HDAC2CA14NAALAD2
SCHEMBL2580993 0.77 CA14 (0.49) HDAC6HDAC1HDAC2CA14NAALAD2
SCHEMBL381146 0.77 HDAC6 (0.39) HDAC6HDAC1HDAC2CA14NAALAD2
SCHEMBL2194683 0.76 HDAC1 (0.46) HDAC6HDAC1HDAC2CA14LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8354418-B2 Thiazolyl-dihydro-quinazolines BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-01-15 US disclosed
US-20090131424-A1 THIAZOLYL-DIHYDRO-CHINAZOLINE BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-05-21 US disclosed
US-20070238746-A1 THIAZOLYL-DIHYDRO-CHINAZOLINE BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2007-10-11 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 (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-20070238746-A1 THIAZOLYL-DIHYDRO-CHINAZOLINE CYP3A7, UGT2B7, UGT1A7 HDAC6 607/4885HDAC1 1200/4885HDAC2 1556/4885
US-20090131424-A1 THIAZOLYL-DIHYDRO-CHINAZOLINE CYP3A7, UGT2B7, UGT1A7 HDAC6 607/4885HDAC1 1200/4885HDAC2 1556/4885

“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.