SCHEMBL6247087

SCHEMBL6247087

Cc1cc(CN2CCN(C(=O)COc3ccc(Br)cc3CCS(=O)(=O)O)CC2)c(C)cc1Cl

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 5/20 0.49
▸ RECQL P46063 1/20 0.47
▸ HPGD P15428 2/20 0.46
▸ NPSR1 Q6W5P4 2/20 0.46
▸ SMN1; SMN2 Q16637 9/20 0.42
▸ LMNA P02545 6/20 0.42
▸ MAPK1 P28482 3/20 0.42
▸ KDM4E B2RXH2 2/20 0.42
▸ GAA P10253 1/20 0.42
▸ HTT P42858 1/20 0.42
▸ MEN1 O00255 2/20 0.41
▸ KMT2A Q03164 2/20 0.41
▸ TSHR P16473 2/20 0.40
▸ PTGDR2 Q9Y5Y4 1/20 0.40
▸ POLB P06746 1/20 0.40
▸ NPC1 O15118 2/20 0.40
▸ MAPT P10636 2/20 0.39
▸ RAB9A P51151 1/20 0.39
▸ ALOX12 P18054 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
SCHEMBL6244924 0.95 ALDH1A1 (0.48) ALDH1A1RECQLHPGDNPSR1SMN1; SMN2
SCHEMBL6245585 0.91 ALDH1A1 (0.51) ALDH1A1RECQLHPGDNPSR1SMN1; SMN2
SCHEMBL6248095 0.91 SMN1; SMN2 (0.50) ALDH1A1HPGDNPSR1SMN1; SMN2LMNA
SCHEMBL6246954 0.90 ALDH1A1 (0.46) ALDH1A1RECQLHPGDNPSR1SMN1; SMN2
SCHEMBL6248697 0.86 SMN1; SMN2 (0.48) HPGDNPSR1SMN1; SMN2LMNAMAPK1
SCHEMBL6245950 0.85 ALDH1A1 (0.36) ALDH1A1RECQLHPGDNPSR1SMN1; SMN2
SCHEMBL6248609 0.85 ALDH1A1 (0.45) ALDH1A1RECQLHPGDNPSR1SMN1; SMN2
SCHEMBL6248257 0.83 SMN1; SMN2 (0.48) ALDH1A1HPGDNPSR1SMN1; SMN2LMNA
SCHEMBL6244886 0.82 SMN1; SMN2 (0.52) HPGDNPSR1SMN1; SMN2LMNAMAPK1
SCHEMBL6247746 0.81 ALDH1A1 (0.48) ALDH1A1RECQLHPGDNPSR1SMN1; SMN2

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
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
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 (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-20030083335-A1 Novel sulfonic acid derivatives CCR1, MSR1, CXCR1 ALDH1A1 622/4885RECQL 3526/4885HPGD 3341/4885

“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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