SCHEMBL1323737

SCHEMBL1323737

COc1c(C)cc(CBr)cc1OS(=O)(=O)c1ccc(C)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GFER P55789 1/20 0.45
ALDH1A1 P00352 7/20 0.45
MAPT P10636 5/20 0.45
LMNA P02545 5/20 0.45
MEN1 O00255 4/20 0.45
KMT2A Q03164 4/20 0.45
SMN1; SMN2 Q16637 4/20 0.45
HTT P42858 3/20 0.45
GAA P10253 3/20 0.44
APP P05067 1/20 0.42
TDP1 Q9NUW8 2/20 0.41
HPGD P15428 2/20 0.40
POLB P06746 1/20 0.40
ALOX12 P18054 1/20 0.40
MAPK1 P28482 1/20 0.40
MCL1 Q07820 1/20 0.40
PKM P14618 2/20 0.39
NPSR1 Q6W5P4 1/20 0.39
ESR1 P03372 1/20 0.39
ESR2 Q92731 1/20 0.39

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
SCHEMBL12119952 0.87 GFER (0.45) GFERALDH1A1MAPTLMNAMEN1
SCHEMBL13605948 0.80 GFER (0.45) GFERALDH1A1MAPTLMNAMEN1
SCHEMBL12119951 0.77 GFER (0.52) GFERALDH1A1MAPTLMNAMEN1
SCHEMBL8163011 0.76 GFER (0.43) GFERALDH1A1MAPTLMNAMEN1
SCHEMBL8163013 0.76 GFER (0.46) GFERALDH1A1MAPTLMNAMEN1
SCHEMBL6340781 0.75 GFER (0.55) GFERALDH1A1MAPTLMNAMEN1
SCHEMBL7636534 0.75 ALDH1A1 (0.48) GFERALDH1A1MAPTLMNAMEN1
SCHEMBL7630261 0.74 KMT2A (0.46) GFERALDH1A1MAPTLMNAMEN1
SCHEMBL3843434 0.74 GAA (0.43) ALDH1A1MAPTLMNAMEN1KMT2A
SCHEMBL3209301 0.74 GFER (0.57) GFERALDH1A1MAPTLMNAMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1937689-B1 INTERMEDIATE AND PROCESS OF PREPARATION OF ECTEINASCIDINS SUCH AS ECTEINASCIDINS 583 AND 597 USING SUCH INTERMEDIATE CENTRE NAT RECH SCIENT (FR) 2012-04-18 EP disclosed
US-8058435-B2 Intermediate and process of preparation of ecteinascidin such as ecteinascidines-583,597 using such intermediate CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (CNRS) (FR) 2011-11-15 US disclosed
US-8058435-B2 Intermediate and process of preparation of ecteinascidin such as ecteinascidines-583,597 using such intermediate CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (CNRS) (FR) 2011-11-15 US disclosed
US-8058435-B2 Intermediate and process of preparation of ecteinascidin such as ecteinascidines-583,597 using such intermediate CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (CNRS) (FR) 2011-11-15 US disclosed
US-20090171080-A1 Intermediate and Process of Preparation of Ecteinascidin Such as Ecteinascidines-583,597 Using Such Intermediate CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (CNRS) (FR) 2009-07-02 US disclosed
US-20090171080-A1 Intermediate and Process of Preparation of Ecteinascidin Such as Ecteinascidines-583,597 Using Such Intermediate CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (CNRS) (FR) 2009-07-02 US disclosed
US-20090171080-A1 Intermediate and Process of Preparation of Ecteinascidin Such as Ecteinascidines-583,597 Using Such Intermediate CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (CNRS) (FR) 2009-07-02 US disclosed
EP-1937689-A2 INTERMEDIATE AND PROCESS OF PREPARATION OF ECTEINASCIDIN SUCH AS ECTEINASCIDINES-583, 597 USING SUCH INTERMEDIATE Centre National de la Recherche Scientifique (FR) 2008-07-02 EP disclosed
EP-1792904-A1 Intermediate and process of preparation of ecteinascidin using such intermediate Centre National de la Recherche Scientifique (CNRS) (FR) 2007-06-06 EP disclosed
WO-2007045686-A2 INTERMEDIATE AND PROCESS OF PREPARATION OF ECTEINASCIDIN SUCH AS ECTEINASCIDINES-583, 597 USING SUCH INTERMEDIATE CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (CNRS) (FR) 2007-04-26 WO disclosed
WO-2007045686-A2 INTERMEDIATE AND PROCESS OF PREPARATION OF ECTEINASCIDIN SUCH AS ECTEINASCIDINES-583, 597 USING SUCH INTERMEDIATE CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (CNRS) (FR) 2007-04-26 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-20090171080-A1 Intermediate and Process of Preparation of Ecteinascidin Such as Ecteinascidines-583,597 Using Such Intermediate MMP7, CCR7, AREG GFER 3070/4885ALDH1A1 1550/4885MAPT 4680/4885

“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.