SCHEMBL6244871

SCHEMBL6244871

O=C(COc1ncc(Cl)cc1CS(=O)(=O)O)N1CCN(CCc2ccc(F)cc2)CC1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CCR1 P32246 1/20 0.43
▸ THRB P10828 1/20 0.43
▸ POLB P06746 1/20 0.41
▸ PRKAA2 P54646 1/20 0.41
▸ HTR2A P28223 5/20 0.41
▸ DRD3 P35462 3/20 0.41
▸ HTR2C P28335 2/20 0.41
▸ HTR1A P08908 2/20 0.41
▸ DRD4 P21917 2/20 0.41
▸ HTR7 P34969 2/20 0.41
▸ DRD2 P14416 1/20 0.41
▸ TMEM97 Q5BJF2 1/20 0.41
▸ SIGMAR1 Q99720 1/20 0.41
▸ TP53 P04637 1/20 0.40
▸ LMNA P02545 2/20 0.40
▸ RXFP1 Q9HBX9 1/20 0.39
▸ ADRA1A P35348 2/20 0.38
▸ OPRM1 P35372 2/20 0.38
▸ SLC6A3 Q01959 2/20 0.38
▸ CACNA1F O60840 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
SCHEMBL6246848 0.94 THRB (0.45) THRBPOLBHTR2ADRD3HTR1A
SCHEMBL6247190 0.92 THRB (0.40) CCR1THRBPOLBDRD3SIGMAR1
SCHEMBL6248103 0.92 THRB (0.42) CCR1THRBPOLBPRKAA2HTR2A
SCHEMBL6249192 0.89 HTR2A (0.45) THRBPOLBPRKAA2HTR2ADRD3
SCHEMBL6250156 0.86 THRB (0.43) THRBPOLBHTR2ADRD3HTR1A
SCHEMBL6245347 0.85 THRB (0.44) THRBPOLBHTR2ADRD3TP53
SCHEMBL6246775 0.85 CCR1 (0.59) CCR1TP53LMNATSHR
SCHEMBL6248199 0.84 THRB (0.40) THRBPOLBDRD3TP53LMNA
SCHEMBL6247894 0.82 THRB (0.40) THRBPOLBHTR2AHTR2CSIGMAR1
SCHEMBL6246930 0.81 HTR2A (0.44) THRBPOLBPRKAA2HTR2ADRD3

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 4/4885THRB 2895/4885POLB 4429/4885
US-20030083335-A1 Novel sulfonic acid derivatives CCR1, MSR1, CXCR1 CCR1 1/4885THRB 3608/4885POLB 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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