SCHEMBL645105

SCHEMBL645105

COc1cccc(OC)c1S(=O)(=O)Nc1cnc2ccccc2c1

nearest known ligand 0.69

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ALPL P05186 17/20 0.69
LMNA P02545 1/20 0.69
SMN1; SMN2 Q16637 1/20 0.69
KDM4E B2RXH2 1/20 0.61
ALDH1A1 P00352 1/20 0.61
ALOX12 P18054 1/20 0.60
RAB9A P51151 1/20 0.58
KMT2A Q03164 1/20 0.58
SLC22A12 Q96S37 1/20 0.54

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
SCHEMBL22501445 0.85 ALPL (0.70) ALPLLMNASMN1; SMN2KDM4EALDH1A1
SCHEMBL15211692 0.82 ALPL (1.00) ALPLLMNASMN1; SMN2KDM4EALDH1A1
SCHEMBL15211743 0.82 ALPL (1.00) ALPLLMNASMN1; SMN2RAB9AKMT2A
SCHEMBL29357421 0.82 ALPL (1.00) ALPLLMNASMN1; SMN2ALOX12KMT2A
SCHEMBL643754 0.82 ALPL (1.00) ALPLLMNASMN1; SMN2ALOX12KMT2A
SCHEMBL30695699 0.82 ALPL (1.00) ALPLLMNASMN1; SMN2ALOX12KMT2A
SCHEMBL1404407 0.81 ALPL (1.00) ALPLLMNASMN1; SMN2
SCHEMBL15211798 0.81 ALPL (1.00) ALPLLMNASMN1; SMN2
SCHEMBL15212081 0.81 ALPL (0.83) ALPLLMNASMN1; SMN2
SCHEMBL31371108 0.81 ALPL (1.00) ALPLLMNASMN1; SMN2

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 9 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
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 ALPL 1/4885LMNA 2775/4885SMN1; SMN2 4792/4885
US-20090156560-A1 TISSUE NON-SPECIFIC ALKALINE PHOSPHATASE INHIBITORS AND USES THEREOF FOR TREATING VASCULAR CALCIFICATION ALPL, CNDP2, ALPI ALPL 1/4885LMNA 2775/4885SMN1; 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.