Sugi Predict

Sugi Predict / Compounds / SCHEMBL1734577

SCHEMBL1734577

SCHEMBL1734577

CCCN(Cc1ccc(C#Cc2ccccc2)cc1)c1ccc(F)c(C(=O)O)c1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PTPN11 Q06124 1/20 0.58
▸ PTPRO Q16827 1/20 0.58
▸ LTB4R2 Q9NPC1 3/20 0.42
▸ LMNA P02545 1/20 0.41
▸ BCL2L1 Q07817 1/20 0.41
▸ MCL1 Q07820 1/20 0.41
▸ PTGES O14684 1/20 0.40
▸ AGTR1 P30556 3/20 0.39
▸ AGTR2 P50052 3/20 0.39
▸ HNF4A P41235 1/20 0.39
▸ FFAR1 O14842 3/20 0.39
▸ FFAR4 Q5NUL3 2/20 0.39
▸ KDM4E B2RXH2 1/20 0.38
▸ ALDH1A1 P00352 1/20 0.38
▸ POLB P06746 1/20 0.38
▸ GAA P10253 1/20 0.38
▸ STAT3 P40763 1/20 0.38
▸ MEN1 O00255 1/20 0.38
▸ RECQL P46063 1/20 0.38
▸ KMT2A Q03164 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
SCHEMBL1734723 0.93 PTPN11 (0.64) PTPN11PTPROLTB4R2LMNABCL2L1
SCHEMBL1736180 0.91 PTPN11 (0.70) PTPN11PTPROLTB4R2LMNABCL2L1
SCHEMBL1810876 0.89 PTPN11 (0.49) PTPN11PTPROLTB4R2LMNAPTGES
SCHEMBL12655705 0.87 LTB4R2 (0.49) PTPN11PTPROLTB4R2LMNABCL2L1
SCHEMBL1814311 0.85 PTPN11 (0.70) PTPN11PTPROLTB4R2BCL2L1MCL1
SCHEMBL1733835 0.85 PTPN11 (0.80) PTPN11PTPROLTB4R2BCL2L1MCL1
SCHEMBL1735937 0.85 PTPN11 (0.70) PTPN11PTPROLTB4R2BCL2L1MCL1
SCHEMBL1736199 0.84 PTPN11 (0.75) PTPN11PTPROLTB4R2BCL2L1MCL1
SCHEMBL1734581 0.84 PTPN11 (0.81) PTPN11PTPROLTB4R2BCL2L1MCL1
SCHEMBL1813977 0.83 PTPN11 (0.55) PTPN11PTPROLTB4R2LMNABCL2L1

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 18 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1904048-B1 GLEPP-1 INHIBITORS IN THE TREATMENT OF AUTOIMMUNE AND/OR INFLAMMATORY DISORDERS MERCK SERONO SA (CH) 2011-11-23 — — EP claimed
US-7947851-B2 1,1′-(1,2-ethynediyl)bis-benzene derivatives as PTP 1-B inhibitors MERCK SERONO SA (CH) 2011-05-24 — — US claimed
US-20090029903-A1 1,1'-(1,2-Ethynediyl)Bis-Benzene Derivatives As Ptp 1-B Inhibitors MERCK SERONO SA (CH) 2009-01-29 — — US claimed
US-20080207722-A1 Glepp-1 Inhibitors in the Treatment of Autoimmune and/or Inflammatory Disorders LABORATORIES SERONO SA (CH) 2008-08-28 — — US claimed
EP-1904048-A1 GLEPP-1 INHIBITORS IN THE TREATMENT OF AUTOIMMUNE AND/OR INFLAMMATORY DISORDERS LABORATOIRES SERONO S.A. (CH) 2008-04-02 — — EP claimed
EP-1756081-A1 1,1'-(1,2-ETHYNEDIYL)BIS-BENZENE DERIVATIVES AS PTP 1-B INHIBITORS Applied Research Systems ARS Holding N.V. (AN) 2007-02-28 — — EP claimed
WO-2007009959-A1 GLEPP-1 INHIBITORS IN THE TREATMENT OF AUTOIMMUNE AND/OR INFLAMMATORY DISORDERS LABORATOIRES SERONO S.A. (CH) 2007-01-25 — — WO claimed
WO-2005097773-A1 1,1’-(1,2-ETHYNEDIYL)BIS-BENZENE DERIVATIVES AS PTP 1-B INHIBITORS APPLIED RESEARCH SYSTEMS ARS HOLDING N.V. (AN) 2005-10-20 — — WO claimed
EP-1904048-B1 GLEPP-1 INHIBITORS IN THE TREATMENT OF AUTOIMMUNE AND/OR INFLAMMATORY DISORDERS MERCK SERONO SA (CH) 2011-11-23 — — EP disclosed
US-7947851-B2 1,1′-(1,2-ethynediyl)bis-benzene derivatives as PTP 1-B inhibitors MERCK SERONO SA (CH) 2011-05-24 — — US disclosed
US-7947851-B2 1,1′-(1,2-ethynediyl)bis-benzene derivatives as PTP 1-B inhibitors MERCK SERONO SA (CH) 2011-05-24 — — US disclosed
US-20090029903-A1 1,1'-(1,2-Ethynediyl)Bis-Benzene Derivatives As Ptp 1-B Inhibitors MERCK SERONO SA (CH) 2009-01-29 — — US disclosed
US-20090029903-A1 1,1'-(1,2-Ethynediyl)Bis-Benzene Derivatives As Ptp 1-B Inhibitors MERCK SERONO SA (CH) 2009-01-29 — — US disclosed
US-20080207722-A1 Glepp-1 Inhibitors in the Treatment of Autoimmune and/or Inflammatory Disorders LABORATORIES SERONO SA (CH) 2008-08-28 — — US disclosed
EP-1904048-A1 GLEPP-1 INHIBITORS IN THE TREATMENT OF AUTOIMMUNE AND/OR INFLAMMATORY DISORDERS LABORATOIRES SERONO S.A. (CH) 2008-04-02 — — EP disclosed
EP-1756081-A1 1,1'-(1,2-ETHYNEDIYL)BIS-BENZENE DERIVATIVES AS PTP 1-B INHIBITORS Applied Research Systems ARS Holding N.V. (AN) 2007-02-28 — — EP disclosed
WO-2007009959-A1 GLEPP-1 INHIBITORS IN THE TREATMENT OF AUTOIMMUNE AND/OR INFLAMMATORY DISORDERS LABORATOIRES SERONO S.A. (CH) 2007-01-25 — — WO disclosed
WO-2005097773-A1 1,1’-(1,2-ETHYNEDIYL)BIS-BENZENE DERIVATIVES AS PTP 1-B INHIBITORS APPLIED RESEARCH SYSTEMS ARS HOLDING N.V. (AN) 2005-10-20 — — 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-20090029903-A1 1,1'-(1,2-Ethynediyl)Bis-Benzene Derivatives As Ptp 1-B Inhibitors PTPRS, PTPRZ1, PTP4A1 PTPN11 38/4885PTPRO 4/4885LTB4R2 2563/4885
US-20080207722-A1 Glepp-1 Inhibitors in the Treatment of Autoimmune and/or Inflammatory Disorders PPP1R1B, PPP5C, PPP3CA PTPN11 458/4885PTPRO 86/4885LTB4R2 217/4885

“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.