SCHEMBL915005

SCHEMBL915005

Cc1nc(COc2cccc3[nH]c(C(=O)O)cc23)cs1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SRD5A2 P31213 2/20 0.61
HTR2A P28223 1/20 0.42
HTR2C P28335 1/20 0.42
SLC6A4 P31645 1/20 0.42
HTR2B P41595 1/20 0.42
FLT3 P36888 2/20 0.41
ALDH1A1 P00352 4/20 0.41
KDM4E B2RXH2 3/20 0.41
MAPT P10636 2/20 0.41
PKM P14618 2/20 0.41
MCL1 Q07820 2/20 0.41
MEN1 O00255 1/20 0.41
XBP1 P17861 1/20 0.41
KMT2A Q03164 1/20 0.41
HKDC1 Q2TB90 1/20 0.41
IDO1 P14902 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
SRD5A1 P18405 1/20 0.41
GAA P10253 1/20 0.40
HTT P42858 1/20 0.40

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
SCHEMBL5789488 0.87 SRD5A2 (0.58) SRD5A2FLT3ALDH1A1KDM4EMAPT
SCHEMBL2313501 0.87 SRD5A2 (0.61) SRD5A2FLT3ALDH1A1KDM4EMAPT
SCHEMBL914803 0.82 L3MBTL1 (0.44) SRD5A2HTR2AHTR2CSLC6A4HTR2B
SCHEMBL914802 0.81 SMYD3 (0.43) SRD5A2HTR2AHTR2CSLC6A4HTR2B
SCHEMBL914722 0.76 SRD5A2 (1.00) SRD5A2FLT3ALDH1A1KDM4EMAPT
SCHEMBL30397127 0.76 SRD5A2 (1.00) SRD5A2FLT3ALDH1A1KDM4EMAPT
SCHEMBL1144792 0.76 SRD5A2 (0.71) SRD5A2FLT3ALDH1A1KDM4EMAPT
SCHEMBL30310576 0.76 SRD5A2 (0.71) SRD5A2FLT3ALDH1A1KDM4EMAPT
SCHEMBL24020490 0.74 SRD5A2 (0.67) SRD5A2FLT3ALDH1A1KDM4EMAPT
SCHEMBL30310677 0.74 SRD5A2 (0.67) SRD5A2FLT3ALDH1A1KDM4EMAPT

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 16 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
CN-102391251-A Chemokine receptor antagonists NOVARTIS AG 2012-03-28 CN 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
CN-1946713-A Chemokine receptor antagonists NOVARTIS AG (CH) 2007-04-11 CN 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
CN-102391251-A Chemokine receptor antagonists NOVARTIS AG 2012-03-28 CN 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
CN-1946713-A Chemokine receptor antagonists NOVARTIS AG (CH) 2007-04-11 CN 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 SRD5A2 849/4885HTR2A 1347/4885HTR2C 2074/4885
US-20070155721-A1 Chemokine receptor antagonists ACKR3, CXCR2, CXCR4 SRD5A2 869/4885HTR2A 1370/4885HTR2C 2053/4885

“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.