SCHEMBL6246775

SCHEMBL6246775

O=C(COc1ccc(Cl)cc1CS(=O)(=O)O)N1CCN(CCc2ccc(F)cc2)CC1

nearest known ligand 0.59

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ CCR1 P32246 3/20 0.59
▸ PTGDR2 Q9Y5Y4 4/20 0.49
▸ SMN1; SMN2 Q16637 3/20 0.46
▸ MAPT P10636 1/20 0.46
▸ ALOX12 P18054 1/20 0.46
▸ NPSR1 Q6W5P4 1/20 0.46
▸ HTT P42858 2/20 0.44
▸ GAA P10253 2/20 0.44
▸ LMNA P02545 1/20 0.44
▸ MAPK1 P28482 1/20 0.44
▸ TSHR P16473 2/20 0.43
▸ HPGD P15428 1/20 0.43
▸ TP53 P04637 1/20 0.43

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
SCHEMBL6249525 0.94 CCR1 (0.51) CCR1PTGDR2SMN1; SMN2MAPTALOX12
SCHEMBL6248243 0.92 CCR1 (0.49) CCR1PTGDR2SMN1; SMN2MAPTALOX12
SCHEMBL6250617 0.92 CCR1 (0.51) CCR1PTGDR2SMN1; SMN2MAPTALOX12
SCHEMBL6248180 0.90 CCR1 (0.48) CCR1PTGDR2SMN1; SMN2MAPTALOX12
SCHEMBL6250107 0.89 SMN1; SMN2 (0.50) CCR1PTGDR2SMN1; SMN2MAPTALOX12
SCHEMBL6247171 0.89 CCR1 (0.46) CCR1SMN1; SMN2NPSR1HTTMAPK1
SCHEMBL6250171 0.89 PTGDR2 (0.49) CCR1PTGDR2SMN1; SMN2MAPTALOX12
SCHEMBL6248236 0.87 RECQL (0.47) CCR1PTGDR2SMN1; SMN2MAPTALOX12
SCHEMBL6248705 0.86 PTGDR2 (0.48) CCR1PTGDR2SMN1; SMN2MAPTALOX12
SCHEMBL6244871 0.85 CCR1 (0.43) CCR1LMNATSHRTP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6974817-B2 CCR1 receptor antagonists; inhibitors of MIP-1 alpha (CCL3) binding to its receptor CCR1 found on inflammatory and immunomodulatory cells; macrophage inflammatory protein (MIP) PFIZER INC. (US) 2005-12-13 — — US claimed
EP-1558258-A1 USE OF PIPERAZINE SULFONIC ACID DERIVATIVES AS CCR1 ANTAGONISTS FOR THE TREATMENT OF FIBROSIS, ALZHEIMER DISEASE AND OTHER DISORDERS Pfizer Products Inc. (US) 2005-08-03 — — EP claimed
EP-1430041-A2 NOVEL SULFONIC ACID DERIVATIVES Pfizer Products Inc. (US) 2004-06-23 — — EP claimed
US-20040116441-A1 Methods of using sulfonic acid derivatives PFIZER INC 2004-06-17 — — US claimed
WO-2004039377-A1 USE OF PIPERAZINE SULFONIC ACID DERIVATIVES AS CCR1 ANTAGONISTS FOR THE TREATMENT OF FIBROSIS, ALZHEIMER DISEASE AND OTHER DISORDERS PFIZER PRODUCTS INC. (US) 2004-05-13 — — WO claimed
US-20030083335-A1 Novel sulfonic acid derivatives HAYWARD MATTHEW M (US) 2003-05-01 — — US claimed
WO-2002102787-A2 NOVEL SULFONIC ACID DERIVATIVES PFIZER PRODUCTS INC. (US) 2002-12-27 — — WO claimed
US-6974817-B2 CCR1 receptor antagonists; inhibitors of MIP-1 alpha (CCL3) binding to its receptor CCR1 found on inflammatory and immunomodulatory cells; macrophage inflammatory protein (MIP) PFIZER INC. (US) 2005-12-13 — — US disclosed
US-20050250790-A1 Novel sulfonic acid derivatives PFIZER INC 2005-11-10 — — US disclosed
EP-1558258-A1 USE OF PIPERAZINE SULFONIC ACID DERIVATIVES AS CCR1 ANTAGONISTS FOR THE TREATMENT OF FIBROSIS, ALZHEIMER DISEASE AND OTHER DISORDERS Pfizer Products Inc. (US) 2005-08-03 — — EP disclosed
EP-1430041-A2 NOVEL SULFONIC ACID DERIVATIVES Pfizer Products Inc. (US) 2004-06-23 — — EP disclosed
US-20040116441-A1 Methods of using sulfonic acid derivatives PFIZER INC 2004-06-17 — — US disclosed
WO-2004039377-A1 USE OF PIPERAZINE SULFONIC ACID DERIVATIVES AS CCR1 ANTAGONISTS FOR THE TREATMENT OF FIBROSIS, ALZHEIMER DISEASE AND OTHER DISORDERS PFIZER PRODUCTS INC. (US) 2004-05-13 — — WO disclosed
US-20030083335-A1 Novel sulfonic acid derivatives HAYWARD MATTHEW M (US) 2003-05-01 — — US disclosed
WO-2002102787-A2 NOVEL SULFONIC ACID DERIVATIVES PFIZER PRODUCTS INC. (US) 2002-12-27 — — 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-20050250790-A1 Novel sulfonic acid derivatives MSR1, MYD88, CXCR2 CCR1 4/4885PTGDR2 808/4885SMN1; SMN2 2160/4885
US-20030083335-A1 Novel sulfonic acid derivatives CCR1, MSR1, CXCR1 CCR1 1/4885PTGDR2 1643/4885SMN1; SMN2 1975/4885

“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.

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