SCHEMBL1897532

SCHEMBL1897532

COc1ccc(C2C(C(=O)c3ccc(F)cc3)=C(O)C(=O)N2CCN2CCOCC2)c(OC)c1

nearest known ligand 0.67

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.67
MAPT P10636 7/20 0.67
MEN1 O00255 3/20 0.60
KMT2A Q03164 3/20 0.60
FPR1 P21462 1/20 0.59
RXFP1 Q9HBX9 3/20 0.57
HTT P42858 1/20 0.55
HIF1A Q16665 1/20 0.55
KDM4E B2RXH2 3/20 0.53
POLB P06746 1/20 0.52
ALOX15 P16050 1/20 0.52
PPARG P37231 2/20 0.52
NCOR2 Q9Y618 2/20 0.52
NPSR1 Q6W5P4 1/20 0.52
HSD17B10 Q99714 1/20 0.52

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
SCHEMBL30774044 1.00 ALDH1A1 (0.67) ALDH1A1MAPTMEN1KMT2AFPR1
SCHEMBL12668757 0.92 ALDH1A1 (0.68) ALDH1A1MAPTMEN1KMT2AFPR1
SCHEMBL1895156 0.89 FPR1 (0.74) ALDH1A1MAPTMEN1KMT2AFPR1
SCHEMBL30774062 0.89 FPR1 (0.74) ALDH1A1MAPTMEN1KMT2AFPR1
SCHEMBL15835206 0.87 ALDH1A1 (0.61) ALDH1A1MAPTMEN1KMT2AFPR1
SCHEMBL6720983 0.84 FPR1 (0.81) ALDH1A1MAPTMEN1KMT2AFPR1
SCHEMBL1896961 0.84 ALDH1A1 (0.68) ALDH1A1MAPTMEN1KMT2ARXFP1
SCHEMBL1898032 0.83 MEN1 (0.68) ALDH1A1MAPTMEN1KMT2AFPR1
SCHEMBL30774054 0.83 MEN1 (0.68) ALDH1A1MAPTMEN1KMT2AFPR1
SCHEMBL12668776 0.79 MEN1 (0.75) ALDH1A1MAPTMEN1KMT2ARXFP1

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 8 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
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-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 ALDH1A1 3595/4885MAPT 4486/4885MEN1 4288/4885
US-20110112098-A1 MOLECULES INHIBITING A METABOLIC PATHWAY INVOLVING THE SYK PROTEIN TYROSINE KINASE AND METHOD FOR IDENTIFYING SAID MOLECULES SYK, BTK, TYRO3 ALDH1A1 3595/4885MAPT 4486/4885MEN1 4288/4885

“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.