SCHEMBL914175

SCHEMBL914175

CCOc1ccc(-c2cccc3[nH]c(C(=O)O)cc23)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALPL P05186 1/20 0.50
PRKAB2 O43741 2/20 0.49
PRKAG1 P54619 2/20 0.49
PRKAA2 P54646 2/20 0.49
PRKAA1 Q13131 2/20 0.49
PRKAG3 Q9UGI9 2/20 0.49
PRKAG2 Q9UGJ0 2/20 0.49
PRKAB1 Q9Y478 2/20 0.49
SRD5A2 P31213 1/20 0.49
POLB P06746 1/20 0.47
DUSP3 P51452 1/20 0.47
PTPN5 P54829 1/20 0.47
PTPN11 Q06124 1/20 0.47
CTDSP1 Q9GZU7 1/20 0.47
PDGFRB P09619 2/20 0.45
PDGFRA P16234 2/20 0.45
HCRTR1 O43613 1/20 0.45
HCRTR2 O43614 1/20 0.45
RXRA P19793 2/20 0.44
RXRB P28702 1/20 0.44

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
SCHEMBL913901 0.86 FLT3 (0.50) ALPLPRKAB2PRKAG1PRKAA2PRKAA1
SCHEMBL2761945 0.81 KDM4E (0.49) ALPLPRKAB2PRKAG1PRKAA2PRKAA1
SCHEMBL2001667 0.81 KDM4E (0.58) SRD5A2SMN1; SMN2KDM4EALDH1A1HPGD
SCHEMBL2761942 0.80 RHEB (0.56) SRD5A2KDM4EALDH1A1HPGDLMNA
SCHEMBL915089 0.80 POLB (0.46) POLBDUSP3PTPN5PTPN11CTDSP1
SCHEMBL915087 0.79 RAB9A (0.45) POLBDUSP3PTPN5PTPN11CTDSP1
SCHEMBL1144792 0.79 SRD5A2 (0.71) SRD5A2POLBDUSP3PTPN5PTPN11
SCHEMBL30071297 0.79 RHEB (0.50) ALPLSRD5A2KDM4EALDH1A1HPGD
SCHEMBL20495021 0.79 RHEB (0.50) ALPLSRD5A2KDM4EALDH1A1HPGD
SCHEMBL30310576 0.79 SRD5A2 (0.71) SRD5A2POLBDUSP3PTPN5PTPN11

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8183366-B2 Chemokine receptor antagonists NOVARTIS AG (CH) 2012-05-22 US claimed
EP-1720859-B1 CHEMOKINE RECEPTOR ANTAGONISTS NOVARTIS AG (CH) 2009-12-23 EP claimed
US-20070155721-A1 Chemokine receptor antagonists NOVARTIS AG (CH) 2007-07-05 US claimed
EP-1720859-A2 CHEMOKINE RECEPTOR ANTAGONISTS Novartis AG (CH) 2006-11-15 EP claimed
WO-2005077932-A2 CHEMOKINE RECEPTOR ANTAGONISTS NOVARTIS AG (CH) 2005-08-25 WO claimed
US-8183366-B2 Chemokine receptor antagonists NOVARTIS AG (CH) 2012-05-22 US disclosed
US-20110015180-A1 Chemokine receptor antagonists NOVARTIS AG (CH) 2011-01-20 US disclosed
US-7858781-B2 Chemokine receptor antagonists NOVARTIS AG (CH) 2010-12-28 US disclosed
EP-1720859-B1 CHEMOKINE RECEPTOR ANTAGONISTS NOVARTIS AG (CH) 2009-12-23 EP disclosed
US-20070155721-A1 Chemokine receptor antagonists NOVARTIS AG (CH) 2007-07-05 US disclosed
EP-1720859-A2 CHEMOKINE RECEPTOR ANTAGONISTS Novartis AG (CH) 2006-11-15 EP disclosed
WO-2005077932-A2 CHEMOKINE RECEPTOR ANTAGONISTS NOVARTIS AG (CH) 2005-08-25 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-20110015180-A1 Chemokine receptor antagonists ACKR3, CXCR2, CXCR4 ALPL 4192/4885PRKAB2 2279/4885PRKAG1 2114/4885
US-20070155721-A1 Chemokine receptor antagonists ACKR3, CXCR2, CXCR4 ALPL 4207/4885PRKAB2 2328/4885PRKAG1 2152/4885

“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.