SCHEMBL6247189

SCHEMBL6247189

O=C(COc1ccc(Br)cc1CCCS(=O)(=O)O)N1CCN(CCc2ccc(F)cc2)CC1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 3/20 0.42
▸ POLB P06746 3/20 0.42
▸ PKM P14618 1/20 0.42
▸ RECQL P46063 1/20 0.41
▸ ALDH1A1 P00352 6/20 0.41
▸ SMN1; SMN2 Q16637 2/20 0.41
▸ HTT P42858 1/20 0.41
▸ MAPK1 P28482 1/20 0.41
▸ HSD17B10 Q99714 1/20 0.41
▸ HTR2A P28223 3/20 0.40
▸ HPGD P15428 1/20 0.40
▸ NPSR1 Q6W5P4 1/20 0.40
▸ HTR2C P28335 1/20 0.40
▸ THRB P10828 1/20 0.40
▸ RXFP1 Q9HBX9 1/20 0.40
▸ MEN1 O00255 2/20 0.40
▸ KMT2A Q03164 2/20 0.40
▸ L3MBTL1 Q9Y468 1/20 0.40
▸ CACNA1F O60840 1/20 0.39
▸ HTR1A P08908 1/20 0.39

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
SCHEMBL6250630 0.95 KDM4E (0.43) KDM4EPOLBPKMRECQLALDH1A1
SCHEMBL6244614 0.91 POLB (0.43) KDM4EPOLBPKMRECQLALDH1A1
SCHEMBL6248982 0.91 RECQL (0.45) POLBRECQLALDH1A1SMN1; SMN2HTT
SCHEMBL6247171 0.90 CCR1 (0.46) KDM4EPOLBPKMRECQLALDH1A1
SCHEMBL6248180 0.90 CCR1 (0.48) SMN1; SMN2HTTMAPK1NPSR1
SCHEMBL6247781 0.86 KDM4E (0.44) KDM4EPOLBPKMRECQLALDH1A1
SCHEMBL6248792 0.86 RECQL (0.47) POLBRECQLALDH1A1SMN1; SMN2HTT
SCHEMBL6248243 0.84 CCR1 (0.49) SMN1; SMN2HTTMAPK1HPGDNPSR1
SCHEMBL6248113 0.84 PTGDR2 (0.47) SMN1; SMN2HTTMAPK1HPGDNPSR1
SCHEMBL6248622 0.82 PTGDR2 (0.44) SMN1; SMN2HTTMAPK1HPGDNPSR1

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 14 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
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 KDM4E 3717/4885POLB 4429/4885PKM 3568/4885
US-20030083335-A1 Novel sulfonic acid derivatives CCR1, MSR1, CXCR1 KDM4E 3866/4885POLB 4395/4885PKM 3653/4885

“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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