SCHEMBL4170919

SCHEMBL4170919

CN(C)c1cc(B(O)O)ccc1C(=O)O

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.41
TSHR P16473 3/20 0.36
GAA P10253 2/20 0.36
TP53 P04637 1/20 0.36
MAPT P10636 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
CYP1A2 P05177 1/20 0.35
KDM4E B2RXH2 2/20 0.35
HCAR3 P49019 1/20 0.35
GLA P06280 1/20 0.35
ACLY P53396 1/20 0.35
CA1 P00915 3/20 0.34
CA2 P00918 3/20 0.34
ENPP2 Q13822 2/20 0.34
TTR P02766 1/20 0.34
CA12 O43570 1/20 0.33
CA7 P43166 1/20 0.33
CA9 Q16790 1/20 0.33
CA14 Q9ULX7 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
SCHEMBL30807652 0.77 ALDH1A1 (0.44) ALDH1A1TSHRSMN1; SMN2CYP1A2KDM4E
SCHEMBL918043 0.77 ALDH1A1 (0.44) ALDH1A1TSHRSMN1; SMN2CYP1A2KDM4E
SCHEMBL23124017 0.76 ALDH1A1 (0.45) ALDH1A1TSHRGAAMAPTCYP1A2
SCHEMBL9996737 0.76 RXRB (0.45) ALDH1A1CYP1A2KDM4ECA2
SCHEMBL2420457 0.76 CSNK2A1 (0.52) ALDH1A1TSHRGAATP53MAPT
SCHEMBL642243 0.76 HCAR3 (0.53) ALDH1A1TSHRGAATP53MAPT
SCHEMBL425149 0.75 ALDH1A1 (0.59) ALDH1A1MAPTKDM4ECA1CA2
SCHEMBL29955104 0.75 ALDH1A1 (0.59) ALDH1A1MAPTKDM4ECA1CA2
SCHEMBL3196612 0.74 KDM4E (0.48) ALDH1A1KDM4EGLAACLY
SCHEMBL6645451 0.74 KEAP1 (0.48) ALDH1A1TSHRGAATP53MAPT

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
US-20120238588-A1 1H-Pyrrolo[2,3-B]Pyridines GlaxoSmithKline, LLC 2012-09-20 US disclosed
US-20120238588-A1 1H-Pyrrolo[2,3-B]Pyridines GlaxoSmithKline, LLC 2012-09-20 US disclosed
US-20120238588-A1 1H-Pyrrolo[2,3-B]Pyridines GlaxoSmithKline, LLC 2012-09-20 US disclosed
US-20090233955-A1 1H-Pyrrolo[2,3-B]Pyridnes GLAXOSMITHKLINE LLC 2009-09-17 US disclosed
US-20090233955-A1 1H-Pyrrolo[2,3-B]Pyridnes GLAXOSMITHKLINE LLC 2009-09-17 US disclosed
US-20090233955-A1 1H-Pyrrolo[2,3-B]Pyridnes GLAXOSMITHKLINE LLC 2009-09-17 US disclosed
EP-1828180-A1 1H-PYRROLO[2,3-BETA]PYRIDINES SMITHKLINE BEECHAM CORPORATION (US) 2007-09-05 EP disclosed
WO-2006063167-A1 1H-PYRROLO[2,3-B]PYRIDINES SMITHKLINE BEECHAM CORPORATION (US) 2006-06-15 WO disclosed
WO-2006063167-A1 1H-PYRROLO[2,3-B]PYRIDINES SMITHKLINE BEECHAM CORPORATION (US) 2006-06-15 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-20090233955-A1 1H-Pyrrolo[2,3-B]Pyridnes SGK1, SGK2, SGK3 ALDH1A1 2874/4885TSHR 3652/4885GAA 1725/4885
US-20120238588-A1 1H-Pyrrolo[2,3-B]Pyridines SGK1, SGK2, SGK3 ALDH1A1 3013/4885TSHR 3659/4885GAA 1698/4885

“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.