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SCHEMBL4974262

SCHEMBL4974262

CS(=O)(=O)c1ccc(S(=O)(=O)CCC2(O)CCNCC2)cc1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ENPP2 Q13822 2/20 0.37
▸ ADAM17 P78536 2/20 0.36
▸ PTGS2 P35354 2/20 0.35
▸ KMT2A Q03164 3/20 0.35
▸ ALDH1A1 P00352 3/20 0.35
▸ MEN1 O00255 2/20 0.35
▸ HTT P42858 2/20 0.35
▸ CA2 P00918 1/20 0.35
▸ LMNA P02545 1/20 0.35
▸ GAA P10253 1/20 0.35
▸ MMP2 P08253 2/20 0.35
▸ MMP9 P14780 1/20 0.35
▸ MMP8 P22894 1/20 0.35
▸ MMP13 P45452 1/20 0.34
▸ CYP3A4 P08684 1/20 0.34
▸ CYP2C9 P11712 1/20 0.34
▸ CYP2C19 P33261 1/20 0.34
▸ GSR P00390 2/20 0.34
▸ NPSR1 Q6W5P4 1/20 0.34
▸ POLB P06746 1/20 0.34

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
SCHEMBL14284044 0.85 HTT (0.40) ENPP2PTGS2KMT2AALDH1A1MEN1
SCHEMBL4978132 0.85 HTT (0.54) KMT2AALDH1A1MEN1HTTLMNA
SCHEMBL4974334 0.84 ALDH1A1 (0.35) ENPP2ADAM17PTGS2ALDH1A1CA2
SCHEMBL4975677 0.82 ADAM17 (0.36) ENPP2ADAM17PTGS2ALDH1A1CYP3A4
SCHEMBL4980319 0.81 PTGS2 (0.42) ENPP2ADAM17PTGS2ALDH1A1CA2
SCHEMBL4973448 0.80 PTGS2 (0.35) ENPP2ADAM17PTGS2ALDH1A1HTT
SCHEMBL4978273 0.79 PTGS2 (0.36) ENPP2ADAM17PTGS2ALDH1A1MMP2
SCHEMBL4980136 0.79 PTGS2 (0.40) ENPP2PTGS2MMP2MMP9MMP8
SCHEMBL4977808 0.78 KMT2A (0.41) KMT2AALDH1A1MEN1HTTLMNA
Hydrochloric Acid SCHEMBL4980230 0.78 PTGS2 (0.35) ENPP2ADAM17PTGS2ALDH1A1MMP2

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 ENPP2 1335/4885ADAM17 2538/4885PTGS2 1175/4885

“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.