SCHEMBL1933232

SCHEMBL1933232

COc1cc([S+](C)[O-])ccc1Br

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.45
ALDH1A1 P00352 2/20 0.41
POLB P06746 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
GRIN2D O15399 1/20 0.34
GRIN3B O60391 1/20 0.34
GRIN1 Q05586 1/20 0.34
GRIN2A Q12879 1/20 0.34
GRIN2B Q13224 1/20 0.34
GRIN2C Q14957 1/20 0.34
GRIN3A Q8TCU5 1/20 0.34
NQO2 P16083 2/20 0.34
HTR2A P28223 2/20 0.33
HTR2C P28335 2/20 0.33
NPSR1 Q6W5P4 1/20 0.33
ALOX5 P09917 1/20 0.33
PTGS2 P35354 1/20 0.33
GRM4 Q14833 1/20 0.33
HTR2B P41595 1/20 0.33
TAAR1 Q96RJ0 1/20 0.33

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
SCHEMBL18754180 0.85 ALDH1A1 (0.46) MAPTALDH1A1POLBL3MBTL1PTGS2
SCHEMBL7322411 0.82 CA2 (0.46) ALDH1A1POLB
SCHEMBL7322406 0.82 CA2 (0.46) ALDH1A1POLB
SCHEMBL23624947 0.77 ALDH1A1 (0.53) MAPTALDH1A1POLBL3MBTL1
SCHEMBL11986325 0.76 LMNA (0.43) ALDH1A1HTR2A
SCHEMBL13730966 0.75 ALDH1A1 (0.38) MAPTALDH1A1L3MBTL1
SCHEMBL14137007 0.74 ACHE (0.39) MAPTALDH1A1NQO2NPSR1PTGS2
SCHEMBL15658672 0.74 ALDH1A1 (0.36) MAPTALDH1A1L3MBTL1
SCHEMBL16492215 0.74 ALDH1A1 (0.36) MAPTALDH1A1L3MBTL1
SCHEMBL17927261 0.72 KDM1A (0.35)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2699575-B1 TRIAZOLOPYRIDINES BAYER IP GMBH (DE) 2015-03-25 EP disclosed
EP-2699575-B1 TRIAZOLOPYRIDINES BAYER IP GMBH (DE) 2015-03-25 EP disclosed
US-20140120087-A1 TRIAZOLOPYRIDINES BAYER INTELLECTUAL PROPERTY GMBH (DE) 2014-05-01 US disclosed
US-20140120087-A1 TRIAZOLOPYRIDINES BAYER INTELLECTUAL PROPERTY GMBH (DE) 2014-05-01 US disclosed
US-20140120087-A1 TRIAZOLOPYRIDINES BAYER INTELLECTUAL PROPERTY GMBH (DE) 2014-05-01 US disclosed
EP-2507236-A1 TRIAZOLOPYRIDINE DERIVATIVES Bayer Intellectual Property GmbH (DE) 2012-10-10 EP disclosed
WO-2011064328-A1 TRIAZOLOPYRIDINE DERIVATIVES BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2011-06-03 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 (1 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-20140120087-A1 TRIAZOLOPYRIDINES QDPR, TBXA2R, KCNJ11 MAPT 2337/4885ALDH1A1 1037/4885POLB 2485/4885

“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.