SCHEMBL4080775

SCHEMBL4080775

C[C@@H](O)[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccccc1N

nearest known ligand 0.51

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
AAK1 Q2M2I8 6/20 0.51
HDAC1 Q13547 2/20 0.45
LMNA P02545 1/20 0.43
POLB P06746 1/20 0.43
CTSS P25774 5/20 0.42
CTSK P43235 3/20 0.42
CA2 P00918 1/20 0.41
TP53 P04637 1/20 0.41
MAPT P10636 1/20 0.41
CTSL P07711 2/20 0.40
CTSB P07858 1/20 0.40
APP P05067 1/20 0.40

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
SCHEMBL9670280 0.91 AAK1 (0.52) AAK1HDAC1LMNAPOLBCTSS
SCHEMBL9744622 0.87 CTSS (0.55) AAK1HDAC1LMNAPOLBCTSS
SCHEMBL9283981 0.86 AAK1 (0.51) AAK1HDAC1LMNAPOLBCTSS
SCHEMBL9286086 0.86 AAK1 (0.51) AAK1HDAC1LMNAPOLBCTSS
SCHEMBL38662963 0.82 AAK1 (0.53) AAK1HDAC1LMNAPOLBCTSS
SCHEMBL5349230 0.82 HDAC1 (0.48) AAK1HDAC1CTSSCTSKCTSL
SCHEMBL29353000 0.79 HDAC1 (0.52) HDAC1LMNAPOLB
SCHEMBL211033 0.79 HDAC1 (0.52) HDAC1LMNAPOLB
SCHEMBL4080656 0.79 AAK1 (0.55) AAK1HDAC1CTSSCTSKTP53
SCHEMBL10206290 0.78 HDAC1 (0.46) HDAC1TP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8822474-B2 6,7-dihydrothieno[3,2-d]pyrimidine for the treatment of inflammatory diseases BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-09-02 US disclosed
US-20120108534-A1 Dihydrothienopyrimidines for the treatment of inflammatory Diseases POUZET PASCALE (US) 2012-05-03 US disclosed
US-8114878-B2 6,7-dihydrothieno[3,2-d]pyrimidine for the treatment of inflammatory diseases BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-02-14 US disclosed
WO-2007118793-A1 DIHYDROTHIENOPYRIMIDINE FOR TREATING INFLAMMATORY DISORDERS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2007-10-25 WO disclosed
EP-1847543-A1 Dihydrothienopyrimidines for the treatment of inflammatory diseases Boehringer Ingelheim Pharma GmbH & Co. KG (DE) 2007-10-24 EP 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-20120108534-A1 Dihydrothienopyrimidines for the treatment of inflammatory Diseases DPYD, DHFR, TPMT AAK1 2727/4885HDAC1 2359/4885LMNA 4713/4885

“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.