SCHEMBL13730799

SCHEMBL13730799

COc1cc(S(=O)(=O)NC(C)(C)C)ccc1Br

nearest known ligand 0.64

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.64
MAPT P10636 6/20 0.56
PARG Q86W56 1/20 0.51
SMN1; SMN2 Q16637 3/20 0.49
LMNA P02545 2/20 0.49
MEN1 O00255 2/20 0.49
KMT2A Q03164 2/20 0.49
KDM4E B2RXH2 1/20 0.49
NPC1 O15118 1/20 0.49
HPGD P15428 1/20 0.49
RAB9A P51151 1/20 0.49
PKM P14618 1/20 0.47
HTT P42858 1/20 0.45
POLB P06746 1/20 0.45
TP53 P04637 1/20 0.44
CA12 O43570 1/20 0.43
CA9 Q16790 1/20 0.43

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
SCHEMBL1303842 0.88 PKM (0.60) ALDH1A1MAPTPARGSMN1; SMN2LMNA
SCHEMBL12932731 0.85 SMN1; SMN2 (0.61) ALDH1A1MAPTSMN1; SMN2LMNAMEN1
SCHEMBL24429355 0.81 SMN1; SMN2 (0.60) ALDH1A1MAPTPARGSMN1; SMN2LMNA
SCHEMBL957480 0.79 MEN1 (0.53) ALDH1A1MAPTPARGSMN1; SMN2LMNA
SCHEMBL2302323 0.78 SIGMAR1 (0.51) ALDH1A1MAPTPARGSMN1; SMN2LMNA
SCHEMBL29498627 0.78 KMT2A (0.51) ALDH1A1MAPTPARGSMN1; SMN2LMNA
SCHEMBL19994876 0.78 KMT2A (0.51) ALDH1A1MAPTPARGSMN1; SMN2LMNA
SCHEMBL30823485 0.76 MAPT (0.67) ALDH1A1MAPTLMNAPOLBCA12
SCHEMBL24478222 0.76 MAPT (0.67) ALDH1A1MAPTLMNAPOLBCA12
SCHEMBL1933234 0.76 MAPT (0.67) ALDH1A1MAPTSMN1; SMN2POLBTP53

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-2699575-A1 TRIAZOLOPYRIDINES Bayer Intellectual Property GmbH (DE) 2014-02-26 EP disclosed
WO-2012143329-A1 TRIAZOLOPYRIDINES BAYER INTELLECTUAL PROPERTY GMBH (DE) 2012-10-26 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 ALDH1A1 1037/4885MAPT 2337/4885PARG 1251/4885

“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.