Sugi Predict

Sugi Predict / Compounds / SCHEMBL3303563

SCHEMBL3303563

SCHEMBL3303563

CS(=O)(=O)c1ccc([C@@H](CCN2CCC(CCS(=O)(=O)c3ccc(S(C)(=O)=O)cc3)CC2)c2cc(F)cc(F)c2)cc1

nearest known ligand 0.59

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ CCR5 P51681 19/20 0.59
▸ CYP2D6 P10635 1/20 0.59
▸ KCNH2 Q12809 1/20 0.59

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
SCHEMBL5238997 0.91 CCR5 (0.58) CCR5CYP2D6KCNH2
SCHEMBL6011417 0.90 CCR5 (0.54) CCR5CYP2D6KCNH2
SCHEMBL6011498 0.89 CCR5 (0.49) CCR5CYP2D6KCNH2
SCHEMBL5219971 0.89 CCR5 (0.60) CCR5CYP2D6KCNH2
SCHEMBL6011496 0.88 CCR5 (0.49) CCR5CYP2D6KCNH2
SCHEMBL6011407 0.88 CCR5 (0.53) CCR5CYP2D6KCNH2
SCHEMBL14395124 0.88 CCR5 (0.55) CCR5CYP2D6KCNH2
SCHEMBL6011593 0.87 CCR5 (0.51) CCR5CYP2D6KCNH2
Hydrochloric Acid SCHEMBL5235331 0.87 CCR5 (0.54) CCR5CYP2D6KCNH2
Hydrochloric Acid SCHEMBL5235339 0.87 CCR5 (0.54) CCR5CYP2D6KCNH2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100099708-A1 Piperidine Derivative Used for Treating Chemokine Receptor 5 Mediated Diseases ASTRAZENECA AB (SE) 2010-04-22 — — US disclosed
US-20100093795-A1 Piperidine Derivative Used for Treating Chemokine Receptor 5 Mediated Diseases ASTRAZENECA AB (SE) 2010-04-15 — — US disclosed
US-20080139613-A1 Chemical Compound ASTRAZENECA AB (SE) 2008-06-12 — — US disclosed
US-20080139612-A1 Chemical Compound ASTRAZENECA AB (SE) 2008-06-12 — — US disclosed
US-20060189650-A1 Novel piperidine derivatives as modulators of chemokine receptor ccr5 ASTRAZENECA AB (SE) 2006-08-24 — — US disclosed
EP-1572650-A1 NOVEL PIPERIDINE DERIVATIVES AS MODULATORS OF CHEMOKINE RECEPTOR CCR5 AstraZeneca AB (SE) 2005-09-14 — — EP disclosed
WO-2004056773-A1 NOVEL PIPERIDINE DERIVATIVES AS MODULATORS OF CHEMOKINE RECEPTOR CCR5 ASTRAZENECA AB (SE) 2004-07-08 — — 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 (5 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-20100093795-A1 Piperidine Derivative Used for Treating Chemokine Receptor 5 Mediated Diseases CCR5, CCL5, CXCR5 CCR5 1/4885CYP2D6 3203/4885KCNH2 2970/4885
US-20080139612-A1 Chemical Compound CCR5, CCR2, CXCR3 CCR5 1/4885CYP2D6 2240/4885KCNH2 2251/4885
US-20060189650-A1 Novel piperidine derivatives as modulators of chemokine receptor ccr5 CCR5, CCR2, CCR1 CCR5 1/4885CYP2D6 3103/4885KCNH2 2437/4885
US-20080139613-A1 Chemical Compound CCR5, CCR2, CCR1 CCR5 1/4885CYP2D6 1995/4885KCNH2 2550/4885
US-20100099708-A1 Piperidine Derivative Used for Treating Chemokine Receptor 5 Mediated Diseases CCR5, CXCR5, CCR2 CCR5 1/4885CYP2D6 3232/4885KCNH2 2562/4885

“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.