SCHEMBL1895548

SCHEMBL1895548

CCOC(=O)C1CCN(C(=O)c2ccc(CN(c3ccc(C)c(C)c3)S(C)(=O)=O)cc2)CC1

nearest known ligand 0.78

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 1/20 0.78
SMN1; SMN2 Q16637 1/20 0.78
GAA P10253 1/20 0.59
ALDH1A1 P00352 2/20 0.54
POLB P06746 1/20 0.53
PKM P14618 1/20 0.52
ATM Q13315 1/20 0.52
TSHR P16473 2/20 0.52
GLA P06280 1/20 0.51
MAPK1 P28482 1/20 0.51
MEN1 O00255 1/20 0.50
KMT2A Q03164 1/20 0.50
LMNA P02545 1/20 0.49
HPGD P15428 1/20 0.49
NPSR1 Q6W5P4 1/20 0.49

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
SCHEMBL30774072 1.00 KCNH2 (0.78) KCNH2SMN1; SMN2GAAALDH1A1POLB
SCHEMBL15835216 0.87 SMN1; SMN2 (0.69) KCNH2SMN1; SMN2GAAALDH1A1MEN1
SCHEMBL3456193 0.83 SMN1; SMN2 (0.77) KCNH2SMN1; SMN2GAAALDH1A1GLA
SCHEMBL13064474 0.79 KMT2A (0.63) GAAALDH1A1POLBPKMTSHR
SCHEMBL4597842 0.78 TSHR (0.58) GAAALDH1A1POLBPKMATM
SCHEMBL1895547 0.77 ALDH1A1 (0.54) KCNH2SMN1; SMN2GAAALDH1A1POLB
SCHEMBL13064472 0.77 HPGD (0.61) GAAALDH1A1TSHRKMT2ALMNA
SCHEMBL3455229 0.76 HPGD (0.82) KCNH2SMN1; SMN2GAAALDH1A1MEN1
SCHEMBL4172039 0.76 TSHR (0.67) KCNH2GAAALDH1A1POLBTSHR
SCHEMBL4598393 0.75 TSHR (0.66) KCNH2GAAALDH1A1POLBTSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9504676-B2 Molecules inhibiting a metabolic pathway involving the Syk protein tyrosine kinase and method for identifying said molecules CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (FR) 2016-11-29 US disclosed
US-9504676-B2 Molecules inhibiting a metabolic pathway involving the Syk protein tyrosine kinase and method for identifying said molecules CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (FR) 2016-11-29 US disclosed
US-20140179679-A1 MOLECULES INHIBITING A METABOLIC PATHWAY INVOLVING THE SYK PROTEIN TYROSINE KINASE AND METHOD FOR IDENTIFYING SAID MOLECULES CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (FR) 2014-06-26 US disclosed
US-20140179679-A1 MOLECULES INHIBITING A METABOLIC PATHWAY INVOLVING THE SYK PROTEIN TYROSINE KINASE AND METHOD FOR IDENTIFYING SAID MOLECULES CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (FR) 2014-06-26 US disclosed
US-20110112098-A1 MOLECULES INHIBITING A METABOLIC PATHWAY INVOLVING THE SYK PROTEIN TYROSINE KINASE AND METHOD FOR IDENTIFYING SAID MOLECULES CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (FR) 2011-05-12 US disclosed
US-20110112098-A1 MOLECULES INHIBITING A METABOLIC PATHWAY INVOLVING THE SYK PROTEIN TYROSINE KINASE AND METHOD FOR IDENTIFYING SAID MOLECULES CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (FR) 2011-05-12 US disclosed
US-20110112098-A1 MOLECULES INHIBITING A METABOLIC PATHWAY INVOLVING THE SYK PROTEIN TYROSINE KINASE AND METHOD FOR IDENTIFYING SAID MOLECULES CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (FR) 2011-05-12 US 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-20140179679-A1 MOLECULES INHIBITING A METABOLIC PATHWAY INVOLVING THE SYK PROTEIN TYROSINE KINASE AND METHOD FOR IDENTIFYING SAID MOLECULES SYK, BTK, TYRO3 KCNH2 4507/4885SMN1; SMN2 4810/4885GAA 1454/4885
US-20110112098-A1 MOLECULES INHIBITING A METABOLIC PATHWAY INVOLVING THE SYK PROTEIN TYROSINE KINASE AND METHOD FOR IDENTIFYING SAID MOLECULES SYK, BTK, TYRO3 KCNH2 4507/4885SMN1; SMN2 4810/4885GAA 1454/4885

“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.