SCHEMBL10058571

SCHEMBL10058571

CCOC(=O)Cc1ccc(N2C(=O)c3c(c(OC(C)C)c4ccccc4c3OC(F)F)C2O)cc1F

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGER4 P35408 7/20 0.42
KMT2A Q03164 3/20 0.33
HPGD P15428 3/20 0.33
MEN1 O00255 2/20 0.33
NPSR1 Q6W5P4 2/20 0.33
POLB P06746 1/20 0.33
HTT P42858 1/20 0.33
SMN1; SMN2 Q16637 2/20 0.32
PKM P14618 1/20 0.32
L3MBTL1 Q9Y468 2/20 0.31
ALDH1A1 P00352 2/20 0.31
KDM4E B2RXH2 1/20 0.31
MAPT P10636 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
CYP1A2 P05177 1/20 0.31
CYP2D6 P10635 1/20 0.31
NPC1 O15118 1/20 0.30
TP53 P04637 1/20 0.30
TSHR P16473 1/20 0.30
RAB9A P51151 1/20 0.30

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
SCHEMBL10058570 1.00 PTGER4 (0.42) PTGER4KMT2AHPGDMEN1NPSR1
SCHEMBL12011118 0.97 PTGER4 (0.44) PTGER4KMT2AHPGDMEN1NPSR1
SCHEMBL10058558 0.93 PTGER4 (0.50) PTGER4KMT2AHPGDMEN1NPSR1
SCHEMBL10058559 0.93 PTGER4 (0.48) PTGER4KMT2AHPGDMEN1NPSR1
SCHEMBL10058564 0.91 PTGER4 (0.44) PTGER4KMT2AHPGDMEN1NPSR1
SCHEMBL10058565 0.91 PTGER4 (0.42) PTGER4KMT2AHPGDMEN1NPSR1
SCHEMBL9947908 0.90 PTGER4 (0.48) PTGER4KMT2AMEN1CYP1A2CYP2D6
SCHEMBL9947644 0.90 PTGER4 (0.48) PTGER4KMT2AMEN1CYP1A2CYP2D6
SCHEMBL8514147 0.86 PTGER4 (0.51) PTGER4KMT2AMEN1SMN1; SMN2ALDH1A1
SCHEMBL10058551 0.86 PTGER4 (0.46) PTGER4KMT2AHPGDMEN1NPSR1

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-8207213-B2 Benzoisoindole derivatives for the treatment of pain GLAXO GROUP LIMITED (GB) 2012-06-26 US disclosed
US-8207213-B2 Benzoisoindole derivatives for the treatment of pain GLAXO GROUP LIMITED (GB) 2012-06-26 US disclosed
US-20110092561-A1 BENZOISOINDOLE DERIVATIVES FOR THE TREATMENT OF PAIN GLAXO GROUP LIMITED (GB) 2011-04-21 US disclosed
US-20110092561-A1 BENZOISOINDOLE DERIVATIVES FOR THE TREATMENT OF PAIN GLAXO GROUP LIMITED (GB) 2011-04-21 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 (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-20110092561-A1 BENZOISOINDOLE DERIVATIVES FOR THE TREATMENT OF PAIN OPRK1, OPRD1, OPRL1 PTGER4 106/4885KMT2A 2553/4885HPGD 866/4885

“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.