SCHEMBL4079170

SCHEMBL4079170

CCC(=O)CNC(=O)CCNC(=O)O

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.39
MEN1 O00255 3/20 0.35
KMT2A Q03164 3/20 0.35
RECQL P46063 2/20 0.35
FAAH O00519 9/20 0.35
ALDH1A1 P00352 2/20 0.35
CNR1 P21554 2/20 0.35
CNR2 P34972 2/20 0.35
TDP1 Q9NUW8 2/20 0.35
CASP2 P42575 1/20 0.34
KDM4E B2RXH2 1/20 0.33
USP2 O75604 1/20 0.33
POLB P06746 1/20 0.33
CYP3A4 P08684 1/20 0.33
MAPT P10636 1/20 0.33
HPGD P15428 1/20 0.33
ALOX15 P16050 1/20 0.33
APEX1 P27695 1/20 0.33
BLM P54132 1/20 0.33
PMP22 Q01453 1/20 0.33

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
SCHEMBL16972900 0.81 TDP1 (0.43) MEN1KMT2AALDH1A1TDP1CASP2
SCHEMBL1696901 0.80
SCHEMBL20725217 0.79 ALDH1A1 (0.36) GAAMEN1KMT2ARECQLALDH1A1
SCHEMBL17235958 0.79 RECQL (0.56) GAAMEN1KMT2ARECQLFAAH
SCHEMBL17235914 0.79 TDP1 (0.41) GAAMEN1KMT2ARECQLFAAH
SCHEMBL23728846 0.77 CASP2 (0.47) GAAMEN1KMT2AFAAHALDH1A1
SCHEMBL8533512 0.75 MEN1 (0.52) GAAMEN1KMT2ARECQLALDH1A1
SCHEMBL16592000 0.75 ALDH1A1 (0.43) GAAMEN1KMT2ARECQLFAAH
SCHEMBL16217890 0.75 RECQL (0.52) GAAMEN1KMT2ARECQLFAAH
SCHEMBL4223239 0.75 SMN1; SMN2 (0.46) GAAMEN1KMT2ARECQLALDH1A1

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 10 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-7517995-B2 Thiazolyl-dihydro-cyclopentapyrazole BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-04-14 US disclosed
US-7482339-B2 2-Naphthylimino-1,3-thiazine derivative SHIONOGI AND CO., LTD. (JP) 2009-01-27 US disclosed
US-20070259855-A1 THIAZOLYL-DIHYDRO-INDAZOLE BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2007-11-08 US disclosed
US-20070027144-A1 Novel use of cannabinoid receptor agonist SHIONOGI & CO., LTD. (JP) 2007-02-01 US disclosed
US-20060281738-A1 2-Naphthylimino-1,3-thiazine derivative SHIONOGI AND CO., LTD. (JP) 2006-12-14 US disclosed
EP-1661572-A1 NOVEL USE OF CANNABINOID RECEPTOR AGONIST SHIONOGI & CO., LTD. (JP) 2006-05-31 EP disclosed
EP-1659117-A1 2-NAPHTHYLIMINO-1,3-THIAZINE DERIVATIVE SHIONOGI & CO., LTD. (JP) 2006-05-24 EP disclosed
EP-0171708-A1 Triazine derivatives and herbicides SHIONOGI & CO., LTD. (JP) 1986-02-19 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 (4 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-20070027144-A1 Novel use of cannabinoid receptor agonist CNR2, CNR1, OPRM1 GAA 4868/4885MEN1 4737/4885KMT2A 2110/4885
US-20070259855-A1 THIAZOLYL-DIHYDRO-INDAZOLE ROR1, RORB, RORA GAA 1697/4885MEN1 1896/4885KMT2A 4598/4885
US-20060281738-A1 2-Naphthylimino-1,3-thiazine derivative NPM1, OXTR, CYP2S1 GAA 4311/4885MEN1 986/4885KMT2A 3233/4885
US-20090131424-A1 THIAZOLYL-DIHYDRO-CHINAZOLINE CYP3A7, UGT2B7, UGT1A7 GAA 1732/4885MEN1 2880/4885KMT2A 4011/4885

“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.