SCHEMBL646283

SCHEMBL646283

O=C(O)c1[nH]nc2c1COc1ccccc1-2

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 1.00
ALPL P05186 3/20 1.00
HSD17B10 Q99714 3/20 1.00
ALDH1A1 P00352 3/20 1.00
GSR P00390 2/20 0.46
THRB P10828 1/20 0.45
NR1H4 Q96RI1 1/20 0.43
KMT2A Q03164 3/20 0.41
MEN1 O00255 2/20 0.41
RAB9A P51151 2/20 0.41
CLK1 P49759 1/20 0.41
NPC1 O15118 1/20 0.41
MAOB P27338 4/20 0.41
GAA P10253 2/20 0.41
HPGD P15428 1/20 0.41
MAPK1 P28482 1/20 0.41
NOTUM Q6P988 1/20 0.41
MAPT P10636 1/20 0.40
RXFP1 Q9HBX9 1/20 0.39
MIF P14174 1/20 0.38

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
SCHEMBL28898102 0.87 ALPL (0.78) KDM4EALPLHSD17B10ALDH1A1GSR
SCHEMBL13539296 0.87 ALPL (0.78) KDM4EALPLHSD17B10ALDH1A1GSR
SCHEMBL13542004 0.84 ALDH1A1 (0.72) KDM4EALPLHSD17B10ALDH1A1GSR
SCHEMBL4149139 0.82 ALPL (0.67) KDM4EALPLHSD17B10ALDH1A1GSR
SCHEMBL13539297 0.82 ALPL (1.00) KDM4EALPLHSD17B10ALDH1A1THRB
SCHEMBL13539303 0.81 ALDH1A1 (0.67) KDM4EALPLHSD17B10ALDH1A1NR1H4
SCHEMBL3928928 0.81 ALPL (0.65) KDM4EALPLHSD17B10ALDH1A1GSR
SCHEMBL4305550 0.78 ALPL (0.60) KDM4EALPLHSD17B10ALDH1A1GSR
SCHEMBL10176736 0.76 ALPL (0.61) KDM4EALPLHSD17B10ALDH1A1THRB
SCHEMBL4306859 0.76 ALPL (0.57) KDM4EALPLHSD17B10ALDH1A1GSR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2164329-A2 TISSUE NON-SPECIFIC ALKALINE PHOSPHATASE INHIBITORS AND USES THEREOF FOR TREATING VASCULAR CALCIFICATION The Burnham Institute for Medical Research (US) 2010-03-24 EP claimed
US-20090156560-A1 TISSUE NON-SPECIFIC ALKALINE PHOSPHATASE INHIBITORS AND USES THEREOF FOR TREATING VASCULAR CALCIFICATION SANFORD-BURNHAM MEDICAL RESEARCH INSTITUTE 2009-06-18 US claimed
WO-2009017863-A2 TISSUE NON-SPECIFIC ALKALINE PHOSPHATASE INHIBITORS AND USES THEREOF FOR TREATING VASCULAR CALCIFICATION BURNHAM INSTITUTE FOR MEDICAL RESEARCH (US) 2009-02-05 WO claimed
US-20120095044-A1 TISSUE NON-SPECIFIC ALKALINE PHOSPHATASE INHIBITORS AND USES THEREOF FOR TREATING VASCULAR CALCIFICATION Sanford-Burnham Medical Research Institute California 2012-04-19 US disclosed
US-20120095044-A1 TISSUE NON-SPECIFIC ALKALINE PHOSPHATASE INHIBITORS AND USES THEREOF FOR TREATING VASCULAR CALCIFICATION Sanford-Burnham Medical Research Institute California 2012-04-19 US disclosed
US-20120095044-A1 TISSUE NON-SPECIFIC ALKALINE PHOSPHATASE INHIBITORS AND USES THEREOF FOR TREATING VASCULAR CALCIFICATION Sanford-Burnham Medical Research Institute California 2012-04-19 US disclosed
EP-2433496-A1 Tissue non-specific alkaline phosphatase inhibitors and uses thereof for treating vascular calcification Burnham Institute for Medical Research (US) 2012-03-28 EP disclosed
EP-2433496-A1 Tissue non-specific alkaline phosphatase inhibitors and uses thereof for treating vascular calcification Burnham Institute for Medical Research (US) 2012-03-28 EP disclosed
US-8119693-B2 Tissue non-specific alkaline phosphatase inhibitors and uses thereof for treating vascular calcification SANFORD-BURNHAM MEDICAL RESEARCH INSTITUTE (US) 2012-02-21 US disclosed
US-8119693-B2 Tissue non-specific alkaline phosphatase inhibitors and uses thereof for treating vascular calcification SANFORD-BURNHAM MEDICAL RESEARCH INSTITUTE (US) 2012-02-21 US disclosed
US-8119693-B2 Tissue non-specific alkaline phosphatase inhibitors and uses thereof for treating vascular calcification SANFORD-BURNHAM MEDICAL RESEARCH INSTITUTE (US) 2012-02-21 US disclosed
EP-2164329-A2 TISSUE NON-SPECIFIC ALKALINE PHOSPHATASE INHIBITORS AND USES THEREOF FOR TREATING VASCULAR CALCIFICATION The Burnham Institute for Medical Research (US) 2010-03-24 EP disclosed
US-20100016313-A1 INTESTINAL ALKALINE PHOSPHATASE MODULATORS AND USES THEREOF BURNHAM INSTITUTE FOR MEDICAL RESEARCH (US) 2010-01-21 US disclosed
US-20100016313-A1 INTESTINAL ALKALINE PHOSPHATASE MODULATORS AND USES THEREOF BURNHAM INSTITUTE FOR MEDICAL RESEARCH (US) 2010-01-21 US disclosed
US-20090156560-A1 TISSUE NON-SPECIFIC ALKALINE PHOSPHATASE INHIBITORS AND USES THEREOF FOR TREATING VASCULAR CALCIFICATION SANFORD-BURNHAM MEDICAL RESEARCH INSTITUTE 2009-06-18 US disclosed
US-20090156560-A1 TISSUE NON-SPECIFIC ALKALINE PHOSPHATASE INHIBITORS AND USES THEREOF FOR TREATING VASCULAR CALCIFICATION SANFORD-BURNHAM MEDICAL RESEARCH INSTITUTE 2009-06-18 US disclosed
US-20090156560-A1 TISSUE NON-SPECIFIC ALKALINE PHOSPHATASE INHIBITORS AND USES THEREOF FOR TREATING VASCULAR CALCIFICATION SANFORD-BURNHAM MEDICAL RESEARCH INSTITUTE 2009-06-18 US disclosed
WO-2009017863-A2 TISSUE NON-SPECIFIC ALKALINE PHOSPHATASE INHIBITORS AND USES THEREOF FOR TREATING VASCULAR CALCIFICATION BURNHAM INSTITUTE FOR MEDICAL RESEARCH (US) 2009-02-05 WO disclosed
WO-2009017863-A2 TISSUE NON-SPECIFIC ALKALINE PHOSPHATASE INHIBITORS AND USES THEREOF FOR TREATING VASCULAR CALCIFICATION BURNHAM INSTITUTE FOR MEDICAL RESEARCH (US) 2009-02-05 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-20120095044-A1 TISSUE NON-SPECIFIC ALKALINE PHOSPHATASE INHIBITORS AND USES THEREOF FOR TREATING VASCULAR CALCIFICATION ALPL, CNDP2, ALPI KDM4E 1913/4885ALPL 1/4885HSD17B10 1896/4885
US-20100016313-A1 INTESTINAL ALKALINE PHOSPHATASE MODULATORS AND USES THEREOF ALPI, SI, FABP2 KDM4E 2989/4885ALPL 5/4885HSD17B10 1174/4885
US-20090156560-A1 TISSUE NON-SPECIFIC ALKALINE PHOSPHATASE INHIBITORS AND USES THEREOF FOR TREATING VASCULAR CALCIFICATION ALPL, CNDP2, ALPI KDM4E 1913/4885ALPL 1/4885HSD17B10 1896/4885

“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.