SCHEMBL6248199

SCHEMBL6248199

O=C(COc1ncc(Cl)cc1CCS(=O)(=O)O)N1CCN(CCc2ccc(F)c(F)c2)CC1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ THRB P10828 1/20 0.40
▸ POLB P06746 1/20 0.38
▸ TP53 P04637 1/20 0.37
▸ CYP3A4 P08684 6/20 0.37
▸ LMNA P02545 2/20 0.37
▸ ABCB11 O95342 1/20 0.37
▸ CYP1A2 P05177 1/20 0.37
▸ ADRA2A P08913 1/20 0.37
▸ CYP2D6 P10635 1/20 0.37
▸ CHRM1 P11229 1/20 0.37
▸ TBXA2R P21731 1/20 0.37
▸ SLC6A2 P23975 1/20 0.37
▸ SLC6A4 P31645 1/20 0.37
▸ CYP2C19 P33261 1/20 0.37
▸ ADRA1A P35348 1/20 0.37
▸ OPRM1 P35372 1/20 0.37
▸ DRD3 P35462 1/20 0.37
▸ SLC6A3 Q01959 1/20 0.37
▸ KCNH2 Q12809 1/20 0.37
▸ HIF1A Q16665 1/20 0.37

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
SCHEMBL6247190 0.92 THRB (0.40) THRBPOLBTP53CYP3A4LMNA
SCHEMBL6248103 0.92 THRB (0.42) THRBPOLBTP53CYP3A4LMNA
SCHEMBL6245347 0.91 THRB (0.44) THRBPOLBTP53CYP3A4LMNA
SCHEMBL6248062 0.91 THRB (0.39) THRBPOLBCYP3A4ABCC1RXFP1
SCHEMBL6250622 0.86 PTGDR2 (0.45) TP53LMNATSHR
SCHEMBL6244871 0.84 CCR1 (0.43) THRBPOLBTP53CYP3A4LMNA
SCHEMBL6247118 0.83 THRB (0.42) THRBPOLBTP53CYP3A4LMNA
SCHEMBL6246848 0.83 THRB (0.45) THRBPOLBTP53CYP3A4LMNA
SCHEMBL6247894 0.83 THRB (0.40) THRBPOLBCYP3A4ABCC1RXFP1
SCHEMBL6246930 0.82 HTR2A (0.44) THRBPOLBTP53ADRA1AOPRM1

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 THRB 2895/4885POLB 4429/4885TP53 3441/4885
US-20030083335-A1 Novel sulfonic acid derivatives CCR1, MSR1, CXCR1 THRB 3608/4885POLB 4395/4885TP53 3824/4885

“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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