SCHEMBL1897586

SCHEMBL1897586

CN(C)S(=O)(=O)c1ccc(C(=O)C2=C(O)C(=O)N(CCCN3CCOCC3)C2c2cccnc2)cc1

nearest known ligand 0.58

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 6/20 0.58
ALDH1A1 P00352 11/20 0.56
GAA P10253 1/20 0.51
MAPT P10636 2/20 0.51
TSHR P16473 2/20 0.49
HSD17B10 Q99714 1/20 0.49
MEN1 O00255 3/20 0.46
KMT2A Q03164 3/20 0.46
LMNA P02545 1/20 0.46
HTT P42858 1/20 0.46
NPC1 O15118 1/20 0.46
ALOX15 P16050 1/20 0.46
MAPK1 P28482 1/20 0.46
PPARG P37231 2/20 0.45
NCOR2 Q9Y618 2/20 0.45
FPR1 P21462 2/20 0.45
NPSR1 Q6W5P4 2/20 0.45
RXFP1 Q9HBX9 1/20 0.45
CYP2C9 P11712 1/20 0.43

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
SCHEMBL30774056 1.00 KDM4E (0.58) KDM4EALDH1A1GAAMAPTTSHR
SCHEMBL1899819 0.86 ALDH1A1 (0.67) KDM4EALDH1A1HSD17B10MEN1KMT2A
SCHEMBL18963024 0.78 ALDH1A1 (0.57) KDM4EALDH1A1GAAMAPTTSHR
SCHEMBL18963022 0.75 ALDH1A1 (0.57) KDM4EALDH1A1GAAMAPTTSHR
SCHEMBL1897714 0.74 KDM4E (0.66) KDM4EALDH1A1GAAMAPTTSHR
SCHEMBL30774043 0.74 KDM4E (0.66) KDM4EALDH1A1GAAMAPTTSHR
SCHEMBL15835206 0.73 ALDH1A1 (0.61) KDM4EALDH1A1MAPTHSD17B10MEN1
SCHEMBL1896726 0.72 ALDH1A1 (0.63) KDM4EALDH1A1MAPTTSHRHSD17B10
SCHEMBL30774058 0.72 ALDH1A1 (0.63) KDM4EALDH1A1MAPTTSHRHSD17B10
SCHEMBL1897337 0.71 MEN1 (0.69) KDM4EALDH1A1MAPTTSHRMEN1

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 10 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-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
EP-2285366-B1 MOLECULES INHIBITING A METABOLIC PATHWAY INVOLVING THE SYK PROTEIN TYROSINE KINASE AND METHOD FOR IDENTIFYING SAID MOLECULES CENTRE NAT RECH SCIENT (FR) 2015-02-25 EP 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-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 KDM4E 891/4885ALDH1A1 3595/4885GAA 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 KDM4E 891/4885ALDH1A1 3595/4885GAA 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.