SCHEMBL10058569

SCHEMBL10058569

CCOC(=O)Cc1ccc(N2C(=O)c3c(c(OC(C)C)c4ccccc4c3OC(F)F)C2O)c(F)c1

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PTGER4 P35408 11/20 0.41
SMN1; SMN2 Q16637 2/20 0.32
ALDH1A1 P00352 2/20 0.31
HPGD P15428 1/20 0.31
CYP1A2 P05177 1/20 0.31
CYP2D6 P10635 1/20 0.31
L3MBTL1 Q9Y468 2/20 0.30
NPC1 O15118 1/20 0.30
PKM P14618 1/20 0.30
NFKB1 P19838 1/20 0.30
RAB9A P51151 1/20 0.30
NFKB2 Q00653 1/20 0.30
RELA Q04206 1/20 0.30
RECQL P46063 1/20 0.30
POLB P06746 2/20 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
SCHEMBL10058568 1.00 PTGER4 (0.41) PTGER4SMN1; SMN2ALDH1A1HPGDCYP1A2
SCHEMBL12011120 0.97 PTGER4 (0.43) PTGER4SMN1; SMN2ALDH1A1HPGDCYP1A2
SCHEMBL10058554 0.93 PTGER4 (0.49) PTGER4ALDH1A1HPGDCYP1A2CYP2D6
SCHEMBL10058555 0.93 PTGER4 (0.47) PTGER4SMN1; SMN2ALDH1A1HPGDCYP1A2
SCHEMBL10058566 0.91 PTGER4 (0.40) PTGER4SMN1; SMN2ALDH1A1HPGD
SCHEMBL10058567 0.91 PTGER4 (0.40) PTGER4SMN1; SMN2ALDH1A1HPGD
SCHEMBL10058562 0.91 PTGER4 (0.43) PTGER4SMN1; SMN2ALDH1A1HPGDCYP1A2
SCHEMBL10058563 0.91 PTGER4 (0.41) PTGER4SMN1; SMN2ALDH1A1HPGDCYP1A2
SCHEMBL9948183 0.90 PTGER4 (0.47) PTGER4CYP1A2CYP2D6
SCHEMBL9947714 0.90 PTGER4 (0.47) PTGER4CYP1A2CYP2D6

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 106/4885SMN1; SMN2 693/4885ALDH1A1 1159/4885

“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.