SCHEMBL4373553

SCHEMBL4373553

CCCS(=O)(=O)S(=O)(=O)CC

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FAAH O00519 2/20 0.33
NPC1 O15118 1/20 0.32
S1PR2 O95136 1/20 0.32
S1PR4 O95977 1/20 0.32
ALDH1A1 P00352 1/20 0.32
LMNA P02545 1/20 0.32
TP53 P04637 1/20 0.32
POLB P06746 1/20 0.32
MAPT P10636 1/20 0.32
HPGD P15428 1/20 0.32
XBP1 P17861 1/20 0.32
S1PR1 P21453 1/20 0.32
MAPK1 P28482 1/20 0.32
AGTR1 P30556 1/20 0.32
HTT P42858 1/20 0.32
RAB9A P51151 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
HSD17B10 Q99714 1/20 0.32
CA1 P00915 2/20 0.32

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
SCHEMBL892430 0.93 FAAH (0.36) FAAHNPC1S1PR2S1PR4ALDH1A1
SCHEMBL892669 0.80 KDM4E (0.36) CA1CA2
SCHEMBL30202349 0.80 LMNA (0.46) FAAHNPC1S1PR2S1PR4ALDH1A1
SCHEMBL10945368 0.79 FAAH (0.33) FAAHNPC1S1PR2S1PR4ALDH1A1
SCHEMBL10946746 0.79 FAAH (0.39) FAAHNPC1S1PR2S1PR4ALDH1A1
SCHEMBL7838446 0.76 FAAH (0.32) FAAHNPC1S1PR2S1PR4ALDH1A1
SCHEMBL10943521 0.76 FAAH (0.43) FAAHNPC1S1PR2S1PR4ALDH1A1
SCHEMBL10946005 0.76 FAAH (0.43) FAAHNPC1S1PR2S1PR4ALDH1A1
SCHEMBL10765103 0.73 CA2 (0.30) CA2
SCHEMBL152599 0.69

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 30 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1100789-B1 SUBSTITUTED BENZOYLCYCLOHEXANDIONES BAYER CROPSCIENCE AG (DE) 2005-02-09 EP claimed
US-20090163508-A1 AMIDE COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-06-25 US disclosed
EP-1841427-A2 COMPOSITIONS AND THERAPEUTIC METHODS UTILIZING A COMBINATION OF A 5-HT1F INHIBITOR AND AN NSAID Pozen, Inc. (US) 2007-10-10 EP disclosed
US-20060178349-A1 Compositions and therapeutic methods utilizing a combination of a 5-HT1F inhibitor and an NSAID POZEN INC. (US) 2006-08-10 US disclosed
WO-2006081127-A2 COMPOSITIONS AND THERAPEUTIC METHODS UTILIZING A COMBINATION OF A 5-HT1F INHIBITOR AND AN NSAID POZEN INC. (US) 2006-08-03 WO disclosed
EP-0842934-B1 5-HT1F agonists LILLY CO ELI (US) 2003-10-29 EP disclosed
EP-0733628-B9 5-Substituted-3-(1,2,3,6-tetrahydropyridin-4-yl)- and 3-(piperidin-4-yl)-1H-indoles: 5-HT1F agonists LILLY CO ELI (US) 2002-06-12 EP disclosed
US-6380201-B1 Methods of treating or ameliorating the symptoms of common cold or allergic rhinitis with serotonin 5-HT1F agonists ELI LILLY AND COMPANY 2002-04-30 US disclosed
EP-1082958-A2 5-HT1F agonists in chronic pain ELI LILLY AND COMPANY (US) 2001-03-14 EP disclosed
EP-0733628-B1 5-Substituted-3-(1,2,3,6-tetrahydropyridin-4-yl)- and 3-(piperidin-4-yl)-1H-indoles: 5-HT1F agonists LILLY CO ELI (US) 2000-12-27 EP disclosed
WO-1998020875-A1 5-HT1F AGONISTS ELI LILLY AND COMPANY (US) 1998-05-22 WO disclosed
EP-0842934-A1 5-HT1F agonists ELI LILLY AND COMPANY (US) 1998-05-20 EP disclosed
EP-0832650-A2 Use of serotonin 5-HT1F agonists for the prevention of migraine ELI LILLY AND COMPANY (US) 1998-04-01 EP disclosed
WO-1998011895-A1 A METHOD FOR THE PREVENTION OF MIGRAINE ELI LILLY AND COMPANY (US) 1998-03-26 WO disclosed
EP-0824917-A2 Use of a serotonin 5-HTlf agonist in the manufacture of a medicament for treating or ameliorating the symptoms of common cold or allergic rhinitis ELI LILLY AND COMPANY (US) 1998-02-25 EP disclosed
WO-1998006402-A1 TREATMENT OF THE COMMON COLD OR ALLERGIC RHINITIS ELI LILLY AND COMPANY (US) 1998-02-19 WO disclosed
US-5708008-A TREATMENT OF MIGRAINE ELI LILLY AND COMPANY (US) 1998-01-13 US disclosed
WO-1996029075-A1 5-SUBSTITUTED-3-(1,2,3,6-TETRAHYDROPYRIDIN-4-YL)- AND 3-(PIPERIDIN-4-YL)-1H-INDOLES: NEW 5-HT1F AGONISTS ELI LILLY AND COMPANY (US) 1996-09-26 WO disclosed
EP-0733628-A1 5-Substituted-3-(1,2,3,6-tetrahydropyridin-4-yl)- and 3-(piperidin-4-yl)-1h-indoles: new 5-ht1f agonists ELI LILLY AND COMPANY (US) 1996-09-25 EP disclosed
EP-0260557-B1 ASYMMETRIC 1:2 METAL COMPLEX DYESTUFS BAYER AG (DE) 1991-11-27 EP 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-20060178349-A1 Compositions and therapeutic methods utilizing a combination of a 5-HT1F inhibitor and an NSAID HTR1F, HTR1A, HTR1E FAAH 60/4885NPC1 840/4885S1PR2 598/4885
US-20090163508-A1 AMIDE COMPOUND FAAH, FAAH2, NAAA FAAH 1/4885NPC1 2637/4885S1PR2 1020/4885

“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.