SCHEMBL1358542

SCHEMBL1358542

CS(=O)(=O)Oc1ccc2c(C(=O)c3ccc(OCCN4CCCCC4)cc3)c(OS(=O)(=O)C(F)(F)F)ccc2c1

nearest known ligand 0.51

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ENPP3 O14638 7/20 0.51
ENPP1 P22413 6/20 0.49
PSMB1 P20618 1/20 0.49
PSMB5 P28074 1/20 0.49
PSMB2 P49721 1/20 0.49
ESR1 P03372 8/20 0.49
STS P08842 2/20 0.49
LTA4H P09960 1/20 0.47
ESR2 Q92731 6/20 0.47
ABCC1 P33527 1/20 0.46

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
SCHEMBL1358420 0.92 ESR1 (0.54) ENPP3ENPP1PSMB1PSMB5PSMB2
SCHEMBL1358193 0.92 ESR1 (0.54) ENPP3ENPP1PSMB1PSMB5PSMB2
SCHEMBL10306734 0.92 ENPP3 (0.50) ENPP3ENPP1PSMB1PSMB5PSMB2
SCHEMBL10306634 0.91 ESR1 (0.52) ENPP3ENPP1PSMB1PSMB5PSMB2
SCHEMBL1359614 0.90 ESR1 (0.55) ESR1STSESR2
SCHEMBL1358262 0.88 HTT (0.52) PSMB1PSMB5PSMB2ESR1LTA4H
SCHEMBL6836622 0.81 ENPP3 (0.78) ENPP3ENPP1ESR1STSESR2
SCHEMBL1358191 0.81 ENPP3 (0.53) ENPP3ENPP1PSMB1PSMB5PSMB2
SCHEMBL1359755 0.80 ESR1 (0.50) PSMB1PSMB5PSMB2ESR1ESR2
SCHEMBL1358515 0.79 ESR1 (0.63) ENPP3ENPP1PSMB1PSMB5PSMB2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8217032-B2 Selective estrogen receptor modulators for the treatment of vasomotor symptoms ELI LILLY AND COMPANY (US) 2012-07-10 US disclosed
US-20110281847-A1 SELECTIVE ESTROGEN RECEPTOR MODULATORS FOR THE TREATMENT OF VASOMOTOR SYMPTOMS ELI LILLY AND COMPANY (US) 2011-11-17 US disclosed
EP-1709021-B1 SELECTIVE ESTROGEN RECEPTOR MODULATORS FOR THE TREATMENT OF VASOMOTOR SYMPTOMS LILLY CO ELI (US) 2010-08-04 EP disclosed
US-20090023917-A1 Selective Estrogen Receptor Modulators for the Treatment of Vasomotor Symptoms ELI LILLY AND COMPANY (US) 2009-01-22 US disclosed
US-20090023917-A1 Selective Estrogen Receptor Modulators for the Treatment of Vasomotor Symptoms ELI LILLY AND COMPANY (US) 2009-01-22 US disclosed
US-7271264-B2 Pentacyclic oxepines and derivatives thereof, compositions and methods ELI LILLY AND COMPANY (US) 2007-09-18 US disclosed
US-7271264-B2 Pentacyclic oxepines and derivatives thereof, compositions and methods ELI LILLY AND COMPANY (US) 2007-09-18 US disclosed
EP-1551822-B1 PENTACYCLIC OXEPINES AND DERIVATIVES THEREOF, PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM LILLY CO ELI (US) 2006-12-20 EP disclosed
EP-1709021-A1 SELECTIVE ESTROGEN RECEPTOR MODULATORS FOR THE TREATMENT OF VASOMOTOR SYMPTOMS ELI LILLY AND COMPANY (US) 2006-10-11 EP disclosed
US-20050261277-A1 Pentacyclic oxepines and derivatives thereof, compositions and methods ELI LILLY AND COMPANY 2005-11-24 US disclosed
WO-2005073204-A1 SELECTIVE ESTROGEN RECEPTOR MODULATORS FOR THE TREATMENT OF VASOMOTOR SYMPTOMS ELI LILLY AND COMPANY (US) 2005-08-11 WO disclosed
EP-1551822-A2 PENTACYCLIC OXEPINES AND DERIVATIVES THEREOF, PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM ELI LILLY AND COMPANY (US) 2005-07-13 EP disclosed
WO-2004009578-A2 PENTACYCLIC OXEPINES AND DERIVATIVES THEREOF, PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM ELI LILLY AND COMPANY (US) 2004-01-29 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 (3 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-20050261277-A1 Pentacyclic oxepines and derivatives thereof, compositions and methods NR5A1, NR3C2, OXER1 ENPP3 1667/4885ENPP1 1821/4885PSMB1 2633/4885
US-20090023917-A1 Selective Estrogen Receptor Modulators for the Treatment of Vasomotor Symptoms GPER1, ESR1, HSD17B11 ENPP3 1575/4885ENPP1 1261/4885PSMB1 1733/4885
US-20110281847-A1 SELECTIVE ESTROGEN RECEPTOR MODULATORS FOR THE TREATMENT OF VASOMOTOR SYMPTOMS GPER1, ESR1, HSD17B11 ENPP3 1575/4885ENPP1 1261/4885PSMB1 1733/4885

“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.