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SCHEMBL4973448

SCHEMBL4973448

COC1(CCS(=O)(=O)c2ccc(S(C)(=O)=O)cc2)CCNCC1

nearest known ligand 0.35

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ PTGS2 P35354 8/20 0.35
▸ PTGS1 P23219 6/20 0.35
▸ MMP13 P45452 3/20 0.33
▸ ADAM17 P78536 2/20 0.33
▸ MMP2 P08253 1/20 0.33
▸ MMP8 P22894 1/20 0.33
▸ HTT P42858 1/20 0.33
▸ NPSR1 Q6W5P4 1/20 0.33
▸ PNMT P11086 1/20 0.33
▸ ALDH1A1 P00352 1/20 0.33
▸ CYP3A4 P08684 1/20 0.33
▸ CYP2C9 P11712 1/20 0.33
▸ CYP2C19 P33261 1/20 0.33
▸ MMP1 P03956 1/20 0.32
▸ ENPP2 Q13822 1/20 0.32
▸ LOX P28300 1/20 0.32
▸ MMP3 P08254 1/20 0.31
▸ MMP10 P09238 1/20 0.31

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
SCHEMBL4974334 0.81 ALDH1A1 (0.35) PTGS2PTGS1MMP13ADAM17MMP2
SCHEMBL4975677 0.80 ADAM17 (0.36) PTGS2PTGS1ADAM17PNMTALDH1A1
SCHEMBL4974262 0.80 ENPP2 (0.37) PTGS2PTGS1MMP13ADAM17MMP2
SCHEMBL4980319 0.79 PTGS2 (0.42) PTGS2PTGS1MMP13ADAM17MMP2
SCHEMBL4978273 0.77 PTGS2 (0.36) PTGS2PTGS1MMP13ADAM17MMP2
Hydrochloric Acid SCHEMBL4980230 0.76 PTGS2 (0.35) PTGS2PTGS1MMP13ADAM17MMP2
SCHEMBL4977500 0.74 GPR119 (0.52) —
SCHEMBL4973444 0.72 MMP13 (0.49) MMP13MMP8HTTNPSR1MMP1
SCHEMBL4978132 0.71 HTT (0.54) MMP13MMP8HTTNPSR1ALDH1A1
SCHEMBL14284045 0.69 PTGS2 (0.39) PTGS2PTGS1HTTALDH1A1CYP3A4

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-20080021038-A1 Novel Piperidine/8-Azabicyclo [3.2.1.] Octan Derivatives As Modulators Of Chemokine Receptor Ccr5 TUCKER HOWARD 2008-01-24 — — US disclosed
US-20080021038-A1 Novel Piperidine/8-Azabicyclo [3.2.1.] Octan Derivatives As Modulators Of Chemokine Receptor Ccr5 TUCKER HOWARD 2008-01-24 — — US disclosed
US-20080021038-A1 Novel Piperidine/8-Azabicyclo [3.2.1.] Octan Derivatives As Modulators Of Chemokine Receptor Ccr5 TUCKER HOWARD 2008-01-24 — — US disclosed
EP-1761491-A1 NOVEL PIPERIDINE/8-AZABICYCLO [3.2.1] OCTAN DERIVATIVES AS MODUILATORS OF CHEMOKINE RECEPTOR CCR5 AstraZeneca AB (SE) 2007-03-14 — — EP disclosed
WO-2006001752-A1 NOVEL PIPERIDINE/8-AZABICYCLO [3.2.1] OCTAN DERIVATIVES AS MODUILATORS OF CHEMOKINE RECEPTOR CCR5 ASTRAZENECA AB (SE) 2006-01-05 — — 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 (1 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-20080021038-A1 Novel Piperidine/8-Azabicyclo [3.2.1.] Octan Derivatives As Modulators Of Chemokine Receptor Ccr5 CCR5, CXCR1, CCR2 PTGS2 1175/4885PTGS1 776/4885MMP13 2697/4885

“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.