SCHEMBL1358191

SCHEMBL1358191

CS(=O)(=O)Oc1ccc2c(C(=O)c3ccc(OCCN4CCCCC4)cc3)c(-c3ccc(F)cc3F)ccc2c1

nearest known ligand 0.53

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ENPP3 O14638 5/20 0.53
ENPP1 P22413 4/20 0.53
ESR1 P03372 10/20 0.49
ESR2 Q92731 8/20 0.49
PSMB1 P20618 1/20 0.48
PSMB5 P28074 1/20 0.48
PSMB2 P49721 1/20 0.48
STS P08842 2/20 0.48
ABCC1 P33527 1/20 0.47
FLT3 P36888 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
SCHEMBL5422570 0.91 ENPP3 (0.51) ENPP3ENPP1ESR1ESR2PSMB1
SCHEMBL1360038 0.91 ENPP3 (0.50) ENPP3ENPP1ESR1ESR2PSMB1
SCHEMBL1359724 0.90 ESR1 (0.56) ESR1ESR2PSMB1PSMB5PSMB2
SCHEMBL1359127 0.90 ESR1 (0.56) ESR1ESR2PSMB1PSMB5PSMB2
SCHEMBL1358938 0.89 ENPP3 (0.47) ENPP3ENPP1ESR1ESR2PSMB1
SCHEMBL10306633 0.88 ESR1 (0.53) ENPP3ENPP1ESR1ESR2PSMB1
SCHEMBL5422671 0.87 ENPP3 (0.48) ENPP3ENPP1ESR1ESR2PSMB1
SCHEMBL5428177 0.87 ENPP3 (0.48) ENPP3ENPP1ESR1ESR2PSMB1
SCHEMBL1359708 0.87 ESR1 (0.61) ESR1ESR2
SCHEMBL1360664 0.87 ESR1 (0.61) ESR1ESR2

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 5 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

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-20090023917-A1 Selective Estrogen Receptor Modulators for the Treatment of Vasomotor Symptoms GPER1, ESR1, HSD17B11 ENPP3 1575/4885ENPP1 1261/4885ESR1 2/4885
US-20110281847-A1 SELECTIVE ESTROGEN RECEPTOR MODULATORS FOR THE TREATMENT OF VASOMOTOR SYMPTOMS GPER1, ESR1, HSD17B11 ENPP3 1575/4885ENPP1 1261/4885ESR1 2/4885

“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.