SCHEMBL645140

SCHEMBL645140

COC(=O)c1cc(-c2ccco2)n[nH]1

nearest known ligand 0.61

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.61
MAPT P10636 6/20 0.58
SMN1; SMN2 Q16637 2/20 0.58
ALPL P05186 9/20 0.56
RAB9A P51151 3/20 0.56
POLB P06746 1/20 0.56
PDE10A Q9Y233 1/20 0.55
NPC1 O15118 2/20 0.55
LMNA P02545 1/20 0.55
HSP90AA1 P07900 1/20 0.54
HSP90AB1 P08238 1/20 0.54
HTT P42858 1/20 0.51
MAPK1 P28482 1/20 0.50
HPGDS O60760 1/20 0.49

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
SCHEMBL644424 0.82 TP53 (0.58) GAAMAPTALPLPOLBPDE10A
SCHEMBL2638591 0.81 PDE10A (0.55) GAAMAPTSMN1; SMN2RAB9APOLB
SCHEMBL646099 0.76 GAA (1.00) GAAMAPTSMN1; SMN2ALPLRAB9A
SCHEMBL8290507 0.75 RAB9A (0.61) GAAMAPTSMN1; SMN2RAB9APOLB
Hydrochloric Acid SCHEMBL1314014 0.75 GAA (0.97) GAAMAPTSMN1; SMN2ALPLRAB9A
SCHEMBL18175041 0.74 TP53 (0.70) MAPTSMN1; SMN2RAB9APOLBNPC1
SCHEMBL643567 0.74 GAA (0.65) GAAMAPTSMN1; SMN2ALPLRAB9A
SCHEMBL13779969 0.74 HPGD (0.58) MAPTALPLPDE10AHPGDS
SCHEMBL8290434 0.73 ALDH1A1 (0.72) MAPTSMN1; SMN2POLBLMNAHTT
SCHEMBL8290458 0.73 POLB (0.77) GAAMAPTSMN1; SMN2RAB9APOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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-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

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-20120095044-A1 TISSUE NON-SPECIFIC ALKALINE PHOSPHATASE INHIBITORS AND USES THEREOF FOR TREATING VASCULAR CALCIFICATION ALPL, CNDP2, ALPI GAA 40/4885MAPT 3950/4885SMN1; SMN2 4792/4885
US-20090156560-A1 TISSUE NON-SPECIFIC ALKALINE PHOSPHATASE INHIBITORS AND USES THEREOF FOR TREATING VASCULAR CALCIFICATION ALPL, CNDP2, ALPI GAA 40/4885MAPT 3950/4885SMN1; SMN2 4792/4885

“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.