SCHEMBL913901

SCHEMBL913901

COc1ccc(-c2cccc3[nH]c(C(=O)O)cc23)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FLT3 P36888 3/20 0.50
SMN1; SMN2 Q16637 2/20 0.48
ALB P02768 1/20 0.47
IL2 P60568 1/20 0.47
IDO1 P14902 1/20 0.47
TDO2 P48775 1/20 0.47
ALPL P05186 1/20 0.47
CA9 Q16790 1/20 0.47
PRKAB2 O43741 4/20 0.46
PRKAG1 P54619 4/20 0.46
PRKAA2 P54646 4/20 0.46
PRKAA1 Q13131 4/20 0.46
PRKAG3 Q9UGI9 4/20 0.46
PRKAG2 Q9UGJ0 4/20 0.46
PRKAB1 Q9Y478 4/20 0.46
SRD5A2 P31213 1/20 0.46
KDM4E B2RXH2 3/20 0.46
ALDH1A1 P00352 3/20 0.46
HPGD P15428 2/20 0.46
GAA P10253 2/20 0.46

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
SCHEMBL914175 0.86 ALPL (0.50) SMN1; SMN2ALPLPRKAB2PRKAG1PRKAA2
SCHEMBL2761945 0.85 KDM4E (0.49) ALPLPRKAB2PRKAG1PRKAA2PRKAA1
SCHEMBL2762047 0.84 KDM4E (0.51) FLT3PRKAB2PRKAG1PRKAA2PRKAA1
SCHEMBL2001667 0.84 KDM4E (0.58) SMN1; SMN2SRD5A2KDM4EALDH1A1HPGD
SCHEMBL2761942 0.83 RHEB (0.56) IDO1TDO2SRD5A2KDM4EALDH1A1
SCHEMBL2761769 0.83 ALPL (0.52) FLT3ALBIL2ALPLSRD5A2
SCHEMBL2761944 0.82 TDO2 (0.50) IDO1TDO2PRKAG1PRKAA1PRKAB1
SCHEMBL30071297 0.82 RHEB (0.50) FLT3IDO1TDO2ALPLSRD5A2
SCHEMBL20495021 0.82 RHEB (0.50) FLT3IDO1TDO2ALPLSRD5A2
SCHEMBL2761931 0.81 KDM4E (0.46) SRD5A2KDM4EALDH1A1HPGDGAA

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 FLT3 225/4885SMN1; SMN2 4303/4885ALB 4641/4885
US-20070155721-A1 Chemokine receptor antagonists ACKR3, CXCR2, CXCR4 FLT3 240/4885SMN1; SMN2 4263/4885ALB 4626/4885

“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.