SCHEMBL5211892

SCHEMBL5211892

CCCS(=O)(=O)O.CN1CCC(C(=O)c2cccc(NC(=S)Nc3ccccc3C(F)(F)F)c2)CC1

nearest known ligand 0.48

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HTR1F P30939 2/20 0.48
LMNA P02545 2/20 0.47
KMT2A Q03164 3/20 0.46
ALDH1A1 P00352 3/20 0.41
MAPT P10636 2/20 0.41
ALOX12 P18054 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
POLB P06746 1/20 0.40
TSHR P16473 1/20 0.40
SMN1; SMN2 Q16637 2/20 0.39
GAA P10253 1/20 0.38
HTT P42858 1/20 0.38
MEN1 O00255 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
Oxalic Acid SCHEMBL5212883 0.88 HTR1F (0.54) HTR1FLMNAKMT2AALDH1A1MAPT
SCHEMBL5209959 0.79 HTR1F (0.62) HTR1FKMT2AALDH1A1MAPTSMN1; SMN2
SCHEMBL5212195 0.79 HTR1F (0.56) HTR1FLMNAKMT2APOLBTSHR
SCHEMBL27508486 0.78 HTR1F (0.54) HTR1FLMNAKMT2AALDH1A1MAPT
SCHEMBL5211088 0.78 HTR1F (0.58) HTR1FLMNAKMT2AALDH1A1MAPT
SCHEMBL5209076 0.78 HTR1F (0.58) HTR1FKMT2AALDH1A1MAPTGAA
SCHEMBL5212244 0.78 HTR1F (0.58) HTR1FLMNAKMT2AALDH1A1MAPT
SCHEMBL5210102 0.78 HTR1F (0.58) HTR1FLMNAKMT2AALDH1A1MAPT
SCHEMBL5209513 0.77 HTR1F (0.65) HTR1FLMNAKMT2AALDH1A1ALOX12
SCHEMBL5212194 0.77 HTR1F (0.57) HTR1FLMNAKMT2AALDH1A1MAPT

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 3 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
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
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

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 HTR1F 1/4885LMNA 2607/4885KMT2A 3859/4885

“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.