SCHEMBL695300

SCHEMBL695300

Cc1cc(Cl)c(OCCOS(C)(=O)=O)c(Cl)c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.45
L3MBTL1 Q9Y468 2/20 0.45
HPGD P15428 1/20 0.45
MAPK1 P28482 1/20 0.45
KDM4E B2RXH2 6/20 0.42
ALDH1A1 P00352 6/20 0.42
TDP1 Q9NUW8 2/20 0.41
KMT2A Q03164 3/20 0.38
RAB9A P51151 1/20 0.38
MEN1 O00255 2/20 0.38
LMNA P02545 2/20 0.38
USP2 O75604 1/20 0.38
MMP9 P14780 1/20 0.38
ALOX15 P16050 1/20 0.38
TSHR P16473 1/20 0.38
POLB P06746 1/20 0.37
SMN1; SMN2 Q16637 2/20 0.36
CYP1A2 P05177 1/20 0.36
CYP2D6 P10635 1/20 0.36
PLAU P00749 1/20 0.36

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
SCHEMBL2375150 0.92 HPGD (0.51) MAPTL3MBTL1HPGDMAPK1KDM4E
SCHEMBL695614 0.81 MAPT (0.55) MAPTL3MBTL1HPGDKDM4EALDH1A1
SCHEMBL14949910 0.76 KDM4E (0.34) HPGDKDM4EALDH1A1LMNAUSP2
SCHEMBL12301074 0.75 HTT (0.37) PLAU
SCHEMBL4399117 0.74 KDM4E (0.54) MAPTL3MBTL1KDM4EALDH1A1TDP1
SCHEMBL17355705 0.74 CA1 (0.45) MAPTL3MBTL1HPGDMAPK1KDM4E
SCHEMBL17087123 0.74 MAPT (0.53) MAPTL3MBTL1HPGDMAPK1KDM4E
SCHEMBL2799797 0.74 MAPT (0.53) MAPTL3MBTL1HPGDMAPK1KDM4E
SCHEMBL660641 0.72 MAPT (0.51) MAPTL3MBTL1HPGDMAPK1KDM4E
SCHEMBL65612 0.72 MAPT (0.51) MAPTL3MBTL1HPGDMAPK1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2012085935-A2 COMPOUNDS AS INHIBITORS OF RENIN CADILA HEALTHCARE LIMITED (IN) 2012-06-28 WO disclosed
US-20120115907-A1 NOVEL COMPOUNDS AS INHIBITORS OF RENIN CADILA HEALTHCARE LIMITED (IN) 2012-05-10 US disclosed
EP-2421828-A2 PIPERIDINE DERIVATIVES AS INHIBITORS OF RENIN Cadila Healthcare Limited (IN) 2012-02-29 EP disclosed
EP-2376473-A1 3,4 - SUBSTITUTED PIPERIDINE DERIVATIVES AS RENIN INHIBITORS Merck Canada Inc. (CA) 2011-10-19 EP disclosed
US-20110237622-A1 RENIN INHIBITORS MERCK FROSST CANADA LTD. (CA) 2011-09-29 US disclosed
US-20110237622-A1 RENIN INHIBITORS MERCK FROSST CANADA LTD. (CA) 2011-09-29 US disclosed
WO-2010122580-A2 NOVEL COMPOUNDS AS INHIBITORS OF RENIN CADILA HEALTHCARE LIMITED (IN) 2010-10-28 WO disclosed
WO-2010066028-A1 3,4 - SUBSTITUTED PIPERIDINE DERIVATIVES AS RENIN INHIBITORS MERCK FROSST CANADA LTD. (CA) 2010-06-17 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-20120115907-A1 NOVEL COMPOUNDS AS INHIBITORS OF RENIN REN, ACE, AGTR1 MAPT 202/4885L3MBTL1 4879/4885HPGD 608/4885
US-20110237622-A1 RENIN INHIBITORS REN, ACE, ACE2 MAPT 4520/4885L3MBTL1 4872/4885HPGD 115/4885

“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.