SCHEMBL2309700

SCHEMBL2309700

N[C@@H](Cc1ccc(Oc2ncc(Cl)cc2Cl)cc1)C(=O)O

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.58
LMNA P02545 2/20 0.58
CYP2C9 P11712 1/20 0.58
TSHR P16473 1/20 0.58
APEX1 P27695 1/20 0.58
MAPK1 P28482 1/20 0.56
LIPE Q05469 4/20 0.50
L3MBTL1 Q9Y468 1/20 0.49
BCHE P06276 1/20 0.49
ITGB3 P05106 1/20 0.47
ITGA2B P08514 1/20 0.47
ACACB O00763 1/20 0.45
IP6K1 Q92551 1/20 0.45
IP6K3 Q96PC2 1/20 0.45
IP6K2 Q9UHH9 1/20 0.45
PTPN1 P18031 1/20 0.45
PSMB5 P28074 1/20 0.45
SLC7A5 Q01650 3/20 0.45
PTGS1 P23219 2/20 0.45
KDM4E B2RXH2 1/20 0.45

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
SCHEMBL2309706 1.00 SMN1; SMN2 (0.58) SMN1; SMN2LMNACYP2C9TSHRAPEX1
SCHEMBL2310144 0.81 ITGB3 (0.48) L3MBTL1ITGB3ITGA2BPTPN1SLC7A5
SCHEMBL2310136 0.81 ITGB3 (0.48) L3MBTL1ITGB3ITGA2BPTPN1SLC7A5
SCHEMBL2312099 0.80 LTA4H (0.50) LIPEITGB3ITGA2BPTPN1SLC7A5
SCHEMBL2312094 0.80 LTA4H (0.50) LIPEITGB3ITGA2BPTPN1SLC7A5
SCHEMBL2293395 0.79 PPARG (0.61) SMN1; SMN2ITGB3ITGA2BPTPN1SLC7A5
SCHEMBL2293387 0.79 PPARG (0.61) SMN1; SMN2ITGB3ITGA2BPTPN1SLC7A5
SCHEMBL20626651 0.77 SMN1; SMN2 (0.69) SMN1; SMN2LMNACYP2C9TSHRAPEX1
SCHEMBL240269 0.77 SMN1; SMN2 (1.00) SMN1; SMN2LMNACYP2C9TSHRAPEX1
Pyriphenop SCHEMBL134252 0.76 L3MBTL1 (0.67) SMN1; SMN2LMNACYP2C9TSHRAPEX1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8288549-B2 Glycine B antagonist MERZ PHARMA GMBH & CO. KGAA (DE) 2012-10-16 US disclosed
US-20110190342-A1 GLYCINE B ANTAGONIST HENRICH MARKUS 2011-08-04 US disclosed
EP-2350014-A1 GLYCINE B ANTAGONISTS Merz Pharma GmbH & Co. KGaA (DE) 2011-08-03 EP disclosed
WO-2010037533-A1 GLYCINE B ANTAGONISTS MERZ PHARMA GMBH & CO KGAA (DE) 2010-04-08 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-20110190342-A1 GLYCINE B ANTAGONIST GRIN2B, GLRB, GRIN2A SMN1; SMN2 855/4885LMNA 2439/4885CYP2C9 2926/4885

“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.