SCHEMBL2886941

SCHEMBL2886941

COC(=O)c1cccc2c1CC(O)O2

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.44
ALDH1A1 P00352 2/20 0.44
HPGD P15428 1/20 0.44
HTT P42858 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
ALOX5 P09917 1/20 0.43
NPC1 O15118 1/20 0.43
LMNA P02545 1/20 0.42
TSHR P16473 1/20 0.42
CFTR P13569 1/20 0.41
HSD17B10 Q99714 1/20 0.41
TRPA1 O75762 4/20 0.41
SIRT1 Q96EB6 1/20 0.41
POLB P06746 1/20 0.40
ATM Q13315 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
RAB9A P51151 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
SCHEMBL4147909 0.85 ALDH1A1 (0.42) KDM4EALDH1A1HPGDHTTNPSR1
SCHEMBL13808814 0.84 DYRK1A (0.34)
SCHEMBL8166508 0.82 KDM4E (0.41) KDM4EALDH1A1HPGDHTTNPSR1
SCHEMBL13808801 0.80 CYP2C9 (0.41) KDM4EALDH1A1HPGDALOX5TSHR
SCHEMBL10069376 0.77 CA12 (0.40) KDM4EALDH1A1HPGDTDP1L3MBTL1
SCHEMBL5764199 0.77 ALDH1A1 (0.46) KDM4EALDH1A1HPGDHTTNPSR1
SCHEMBL27317222 0.77 DRD2 (0.44) KDM4EALDH1A1HPGDHTTNPSR1
SCHEMBL1067879 0.74 KDM4E (0.43) KDM4EALDH1A1HPGDHTTNPSR1
SCHEMBL22032149 0.74 KDM4E (0.37) KDM4EALDH1A1HPGDHTTNPSR1
SCHEMBL22084664 0.74 KDM4E (0.37) KDM4EALDH1A1HPGDHTTNPSR1

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-20100286201-A1 POLYMORPH FORMS OF (S)-2-((4-BENZOFURANYL)CARBONYLAMINOMETHYL)-1-((4-(2-METHYL-5-(4-FLUOROPHENYL)THIAZOLYL)CARBONYL)PIPERIDINE GLAXO GROUP LIMITED (GB) 2010-11-11 US disclosed
EP-2190842-A1 POLYMORPH FORMS OF (S)-2-((4-BENZOFURANYL)CARBONYLAMINOMETHYL)-1-((4-(2-METHYL-5-(4-FLUOROPHENYL)THIAZOLYL)CARBONYL)PIPERIDINE Glaxo Group Limited (GB) 2010-06-02 EP disclosed
US-20090131688-A1 METHOD FOR THE SYNTHESIS OF 4-BENZOFURAN-CARBOXYLIC ACID ZACH SYSTEM (FR) 2009-05-21 US disclosed
WO-2009034133-A1 POLYMORPH FORMS OF (S)-2-((4-BENZOFURANYL)CARBONYLAMINOMETHYL)-1-((4-(2-METHYL-5-(4-FLUOROPHENYL)THIAZOLYL)CARBONYL)PIPERIDINE GLAXO GROUP LIMITED (GB) 2009-03-19 WO disclosed
US-6939866-B2 Quinazoline derivatives ASTRAZENECA AB (SE) 2005-09-06 US disclosed
US-20040044015-A1 Quinazoline derivatives ASTRAZENECA AB (SE) 2004-03-04 US disclosed
EP-1326860-A1 QUINAZOLINE DERIVATIVES AstraZeneca AB (SE) 2003-07-16 EP disclosed
WO-2003047584-A1 QUINOLINE DERIVATIVES ASTRAZENECA AB (SE) 2003-06-12 WO disclosed
WO-2003047585-A1 PHARMACEUTICAL COMPOSITIONS COMPRISING BENZOFURANYL SUBSTITUTED 3-CYANOQUINOLINE DERIVATIVES AND THEIR USE FOR THE TREATMENT OF SOLID TUMOURS ASTRAZENECA AB (SE) 2003-06-12 WO disclosed
WO-2002030926-A1 QUINAZOLINE DERIVATIVES ASTRAZENECA AB (SE) 2002-04-18 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 (3 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-20040044015-A1 Quinazoline derivatives NQO2, NRAS, TOP1 KDM4E 3469/4885ALDH1A1 1295/4885HPGD 534/4885
US-20090131688-A1 METHOD FOR THE SYNTHESIS OF 4-BENZOFURAN-CARBOXYLIC ACID COASY, HSD17B12, ALDH18A1 KDM4E 1526/4885ALDH1A1 40/4885HPGD 633/4885
US-20100286201-A1 POLYMORPH FORMS OF (S)-2-((4-BENZOFURANYL)CARBONYLAMINOMETHYL)-1-((4-(2-METHYL-5-(4-FLUOROPHENYL)THIAZOLYL)CARBONYL)PIPERIDINE HLA-DRB1, HLA-C, BRCA1 KDM4E 3560/4885ALDH1A1 168/4885HPGD 1810/4885

“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.