SCHEMBL6248792

SCHEMBL6248792

O=C(COc1ccc(Br)cc1CCS(=O)(=O)O)N1CCN(CCc2ccc(Cl)cc2)CC1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RECQL P46063 1/20 0.47
▸ ALDH1A1 P00352 2/20 0.45
▸ POLB P06746 1/20 0.44
▸ LMNA P02545 4/20 0.43
▸ CCR5 P51681 4/20 0.43
▸ SMN1; SMN2 Q16637 2/20 0.43
▸ NPSR1 Q6W5P4 2/20 0.43
▸ MAPT P10636 1/20 0.43
▸ ALOX12 P18054 1/20 0.43
▸ CYP3A4 P08684 2/20 0.42
▸ ABCB11 O95342 1/20 0.42
▸ CYP1A2 P05177 1/20 0.42
▸ ADRA2A P08913 1/20 0.42
▸ CYP2D6 P10635 1/20 0.42
▸ CHRM1 P11229 1/20 0.42
▸ TBXA2R P21731 1/20 0.42
▸ SLC6A2 P23975 1/20 0.42
▸ SLC6A4 P31645 1/20 0.42
▸ CYP2C19 P33261 1/20 0.42
▸ ADRA1A P35348 1/20 0.42

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
SCHEMBL6248982 0.95 RECQL (0.45) RECQLALDH1A1POLBLMNACCR5
SCHEMBL6248705 0.93 PTGDR2 (0.48) LMNASMN1; SMN2NPSR1MAPTALOX12
SCHEMBL6248236 0.92 RECQL (0.47) RECQLALDH1A1POLBLMNACCR5
SCHEMBL6250630 0.91 KDM4E (0.43) RECQLALDH1A1POLBSMN1; SMN2NPSR1
SCHEMBL6247781 0.89 KDM4E (0.44) RECQLALDH1A1POLBLMNASMN1; SMN2
SCHEMBL6248243 0.87 CCR1 (0.49) LMNASMN1; SMN2NPSR1MAPTALOX12
SCHEMBL6248113 0.87 PTGDR2 (0.47) LMNASMN1; SMN2NPSR1MAPTALOX12
SCHEMBL6247189 0.86 KDM4E (0.42) RECQLALDH1A1POLBSMN1; SMN2NPSR1
SCHEMBL6247118 0.86 THRB (0.42) ALDH1A1POLBLMNASMN1; SMN2MAPT
SCHEMBL6250622 0.85 PTGDR2 (0.45) LMNASMN1; SMN2NPSR1MAPTALOX12

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 RECQL 2556/4885ALDH1A1 1416/4885POLB 4429/4885
US-20030083335-A1 Novel sulfonic acid derivatives CCR1, MSR1, CXCR1 RECQL 3526/4885ALDH1A1 622/4885POLB 4395/4885

“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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