SCHEMBL5216484

SCHEMBL5216484

COc1ccc(S(=O)(=O)Nc2cccc(C(=O)C3CCN(C)CC3)c2)cc1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TCF4 P15884 2/20 0.64
CTNNB1 P35222 2/20 0.64
CYP19A1 P11511 1/20 0.57
ALDH1A1 P00352 6/20 0.54
MAPT P10636 3/20 0.54
HTT P42858 3/20 0.54
GAA P10253 2/20 0.54
ALOX15 P16050 1/20 0.54
MAPK1 P28482 1/20 0.54
TDP1 Q9NUW8 1/20 0.54
LMNA P02545 2/20 0.53
SMN1; SMN2 Q16637 2/20 0.53
KDM4E B2RXH2 1/20 0.53
MEN1 O00255 1/20 0.53
HPGD P15428 1/20 0.53
KMT2A Q03164 1/20 0.53
TRIM24 O15164 2/20 0.53
HTR1F P30939 1/20 0.52
TP53 P04637 1/20 0.52
CRHBP P24387 1/20 0.51

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
SCHEMBL5212363 0.88 TCF4 (0.59) TCF4CTNNB1ALDH1A1MAPTHTT
SCHEMBL5212108 0.88 TCF4 (0.51) TCF4CTNNB1MAPTLMNASMN1; SMN2
SCHEMBL5213124 0.88 HTR1F (0.56) ALDH1A1GAATDP1LMNAMEN1
SCHEMBL5212060 0.87 HTR1F (0.68) MAPTHTTGAALMNASMN1; SMN2
SCHEMBL5213119 0.87 EGFR (0.57) TCF4CTNNB1CYP19A1ALDH1A1MEN1
SCHEMBL5214543 0.87 ITGA1 (0.58) TCF4CTNNB1ALDH1A1MAPTSMN1; SMN2
SCHEMBL5210843 0.87 ITGA1 (0.58) TCF4CTNNB1ALDH1A1MAPTALOX15
SCHEMBL5212974 0.85 ATIC (0.62) TCF4CTNNB1ALDH1A1MEN1KMT2A
SCHEMBL5208596 0.85 HTR1F (0.53) TCF4CTNNB1ALDH1A1MAPTSMN1; SMN2
SCHEMBL5209738 0.84 KDM1A (0.52) ALDH1A1TDP1KDM4EMEN1HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1153013-B1 5-HT1F AGONISTS LILLY CO ELI (US) 2007-10-31 EP 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
US-6777428-B1 INHIBIT PEPTIDE EXTRAVASATION DUE TO STIMULATION OF THE TRIGEMINAL GANGLIA, AND ARE THEREFORE USEFUL FOR THE TREATMENT OF MIGRAINE AND ASSOCIATED DISORDERS ELI LILLY AND COMPANY 2004-08-17 US disclosed
CN-1149195-C 5-HTIF agonists 2004-05-12 CN disclosed
CN-1340045-A 5-HTIF agonists LILLY CO ELI (US) 2002-03-13 CN 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 (1 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 TCF4 3237/4885CTNNB1 1379/4885CYP19A1 2660/4885

“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.