SCHEMBL3591050

SCHEMBL3591050

O=C(O)/C=C/C1CCN(S(=O)(=O)C(F)(F)F)CC1

nearest known ligand 0.43

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 4/20 0.31
HDAC8 Q9BY41 1/20 0.31
ESR1 P03372 1/20 0.30
ESR2 Q92731 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
SCHEMBL3591053 1.00 CNR1 (0.31) CNR1HDAC8ESR1ESR2
SCHEMBL2769250 0.78 TP53 (0.46)
SCHEMBL2769248 0.78 TP53 (0.46)
Hydrochloric Acid SCHEMBL5233787 0.77 TP53 (0.45)
Hydrochloric Acid SCHEMBL27660529 0.77 TP53 (0.45)
SCHEMBL7310251 0.74 TSHR (0.51)
SCHEMBL424845 0.71 EPHX2 (0.56) HDAC8
SCHEMBL424846 0.71 EPHX2 (0.56) HDAC8
Trifluoroacetic Acid SCHEMBL2680032 0.70 DPP4 (0.33) CNR1ESR1ESR2
SCHEMBL694640 0.70 EPHX2 (0.40)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100010007-A1 PIPERIDINE DERIVATIVES AS MODULATORS OF CHEMOKINE RECEPTOR CCR5 ASTRAZENECA AB (SE) 2010-01-14 US disclosed
US-7615555-B2 Piperidine derivatives as modulators of chemokine receptor CCR5 ASTRAZENECA AB (SE) 2009-11-10 US disclosed
US-20080200460-A1 Chemical Compounds BROWN DEARG 2008-08-21 US disclosed
EP-1833792-A1 SUBSTITUTED PIPERIDINE COMPOUNDS FOR USE AS CCR5 MODULATORS AstraZeneca AB (SE) 2007-09-19 EP disclosed
US-20070167442-A1 Chemical compounds ASTRAZENECA AB (SE) 2007-07-19 US disclosed
EP-1742934-A2 PIPERIDINE DERIVATIVES AS MODULATORS OF CHEMOKINE RECEPTOR CCR5 AstraZeneca AB (SE) 2007-01-17 EP disclosed
WO-2006067385-A1 CHEMICAL COMPOUNDS ASTRAZENECA AB (SE) 2006-06-29 WO disclosed
WO-2005101989-A2 PIPERIDINE DERIVATIVES AS MODULATORS OF CHEMOKINE RECEPTOR CCR5 ASTRAZENECA AB (SE) 2005-11-03 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-20100010007-A1 PIPERIDINE DERIVATIVES AS MODULATORS OF CHEMOKINE RECEPTOR CCR5 CCR5, CCR2, CXCR3 CNR1 95/4885HDAC8 3142/4885ESR1 2326/4885
US-20080200460-A1 Chemical Compounds CCR5, CXCR4, CXCR5 CNR1 50/4885HDAC8 1696/4885ESR1 496/4885
US-20070167442-A1 Chemical compounds CCR5, CXCR3, CX3CR1 CNR1 70/4885HDAC8 3680/4885ESR1 786/4885

“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.