SCHEMBL3589428

SCHEMBL3589428

COC(=O)C1=C(OS(=O)(=O)C(F)(F)F)C[C@H](C)C1

nearest known ligand 0.32

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
CXCR2 P25025 1/20 0.32
DRD2 P14416 1/20 0.30
HTR1D P28221 1/20 0.30
DRD3 P35462 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
SCHEMBL3598479 1.00 CXCR2 (0.32) CXCR2DRD2HTR1DDRD3
SCHEMBL13933933 0.87 ALDH1A1 (0.33) CXCR2DRD2HTR1DDRD3
SCHEMBL4548487 0.79 DRD2 (0.32) DRD2HTR1DDRD3
SCHEMBL18587016 0.79
SCHEMBL17395607 0.77 DRD2 (0.32) DRD2HTR1DDRD3
SCHEMBL4548474 0.76 DRD2 (0.35) DRD2HTR1DDRD3
SCHEMBL502662 0.76 SLC6A3 (0.37) CXCR2
SCHEMBL4548472 0.76 SLC6A3 (0.39) CXCR2
SCHEMBL18617912 0.75 NR1H2 (0.34)
SCHEMBL29450323 0.75 NR1H2 (0.34)

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 23 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2011035019-A1 NOVEL TRICYCLIC PROTEIN KINASE MODULATORS CYLENE PHARMACEUTICALS, INC. (US) 2011-03-24 WO disclosed
US-7842822-B2 Substituted benzopyrans as selective estrogen receptor-beta agonists ELI LILLY AND COMPANY (US) 2010-11-30 US disclosed
US-7842822-B2 Substituted benzopyrans as selective estrogen receptor-beta agonists ELI LILLY AND COMPANY (US) 2010-11-30 US disclosed
US-7842822-B2 Substituted benzopyrans as selective estrogen receptor-beta agonists ELI LILLY AND COMPANY (US) 2010-11-30 US disclosed
US-20090298925-A1 SUBSTITUTED BENZOPYRANS AS SELECTIVE ESTROGEN RECEPTOR-BETA AGONISTS DURST GREGORY LEE 2009-12-03 US disclosed
US-20090298925-A1 SUBSTITUTED BENZOPYRANS AS SELECTIVE ESTROGEN RECEPTOR-BETA AGONISTS DURST GREGORY LEE 2009-12-03 US disclosed
US-20090298925-A1 SUBSTITUTED BENZOPYRANS AS SELECTIVE ESTROGEN RECEPTOR-BETA AGONISTS DURST GREGORY LEE 2009-12-03 US disclosed
US-7585985-B2 Substituted benzopyrans as selective estrogen receptor-beta agonists ELI LILLY AND COMPANY (US) 2009-09-08 US disclosed
US-7585985-B2 Substituted benzopyrans as selective estrogen receptor-beta agonists ELI LILLY AND COMPANY (US) 2009-09-08 US disclosed
US-7585985-B2 Substituted benzopyrans as selective estrogen receptor-beta agonists ELI LILLY AND COMPANY (US) 2009-09-08 US disclosed
US-7442812-B2 Substituted benzopyrans as selective estrogen receptor-beta agonists ELI LILLY AND COMPANY (US) 2008-10-28 US disclosed
US-7442812-B2 Substituted benzopyrans as selective estrogen receptor-beta agonists ELI LILLY AND COMPANY (US) 2008-10-28 US disclosed
US-7442812-B2 Substituted benzopyrans as selective estrogen receptor-beta agonists ELI LILLY AND COMPANY (US) 2008-10-28 US disclosed
EP-1626974-B1 SUBSTITUTED BENZOPYRANS AS SELECTIVE ESTROGEN RECEPTOR-BETA AGONISTS LILLY CO ELI (US) 2008-08-27 EP disclosed
EP-1626974-B1 SUBSTITUTED BENZOPYRANS AS SELECTIVE ESTROGEN RECEPTOR-BETA AGONISTS LILLY CO ELI (US) 2008-08-27 EP disclosed
US-20070106082-A1 Substituted benzopyrans as selective estrogen receptor-beta agonists ELI LILLY AND COMPANY 2007-05-10 US disclosed
US-20070106082-A1 Substituted benzopyrans as selective estrogen receptor-beta agonists ELI LILLY AND COMPANY 2007-05-10 US disclosed
US-20070106082-A1 Substituted benzopyrans as selective estrogen receptor-beta agonists ELI LILLY AND COMPANY 2007-05-10 US disclosed
EP-1626974-A2 SUBSTITUTED BENZOPYRANS AS SELECTIVE ESTROGEN RECEPTOR-BETA AGONISTS ELI LILLY AND COMPANY (US) 2006-02-22 EP disclosed
WO-2004094400-A2 SUBSTITUTED BENZOPYRANS AS SELECTIVE ESTROGEN RECEPTOR-BETA AGONISTS ELI LILLY AND COMPANY (US) 2004-11-04 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 (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-20070106082-A1 Substituted benzopyrans as selective estrogen receptor-beta agonists MCHR1, MCHR2, MC1R CXCR2 702/4885DRD2 472/4885HTR1D 66/4885
US-20090298925-A1 SUBSTITUTED BENZOPYRANS AS SELECTIVE ESTROGEN RECEPTOR-BETA AGONISTS GPER1, ESR2, ESR1 CXCR2 1883/4885DRD2 1388/4885HTR1D 313/4885

“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.