SCHEMBL6247206

SCHEMBL6247206

Cc1cc(CN2CCN(C(=O)COc3cccc(Br)c3CS(=O)(=O)O)CC2)c(C)cc1F

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 9/20 0.43
▸ MAPT P10636 4/20 0.43
▸ HTT P42858 2/20 0.43
▸ KDM4E B2RXH2 6/20 0.40
▸ SMN1; SMN2 Q16637 5/20 0.40
▸ LMNA P02545 4/20 0.40
▸ MAPK1 P28482 2/20 0.40
▸ POLB P06746 2/20 0.40
▸ NPSR1 Q6W5P4 1/20 0.40
▸ NPC1 O15118 2/20 0.40
▸ RAB9A P51151 2/20 0.40
▸ MEN1 O00255 1/20 0.40
▸ KMT2A Q03164 1/20 0.40
▸ PKM P14618 1/20 0.38
▸ GAA P10253 1/20 0.38
▸ HPGD P15428 1/20 0.38
▸ TSHR P16473 1/20 0.38

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
SCHEMBL6245390 0.90 ALDH1A1 (0.45) ALDH1A1MAPTHTTKDM4ESMN1; SMN2
SCHEMBL6245894 0.88 ALDH1A1 (0.42) ALDH1A1MAPTHTTKDM4ESMN1; SMN2
SCHEMBL6247746 0.85 ALDH1A1 (0.48) ALDH1A1MAPTKDM4ESMN1; SMN2LMNA
SCHEMBL6249228 0.85 ALDH1A1 (0.45) ALDH1A1MAPTHTTKDM4ESMN1; SMN2
SCHEMBL6245599 0.83 KDM4E (0.47) ALDH1A1MAPTHTTKDM4ESMN1; SMN2
SCHEMBL6246905 0.81 CCR1 (0.51) ALDH1A1MAPTHTTKDM4ESMN1; SMN2
SCHEMBL6245957 0.81 SMN1; SMN2 (0.48) ALDH1A1MAPTHTTKDM4ESMN1; SMN2
SCHEMBL6462941 0.81 CCR1 (0.50) ALDH1A1MAPTHTTKDM4ESMN1; SMN2
SCHEMBL6466922 0.81 CCR1 (0.50) ALDH1A1MAPTHTTKDM4ESMN1; SMN2
SCHEMBL6246173 0.80 PTGDR2 (0.49) ALDH1A1MAPTHTTKDM4ESMN1; 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 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 ALDH1A1 1416/4885MAPT 4413/4885HTT 4461/4885
US-20030083335-A1 Novel sulfonic acid derivatives CCR1, MSR1, CXCR1 ALDH1A1 622/4885MAPT 4456/4885HTT 4529/4885

“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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