Acrylic Acid

Acrylic Acid

SCHEMBL5208516

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

nearest known ligand 0.52

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR1F P30939 1/20 0.52
POLB P06746 2/20 0.46
TSHR P16473 1/20 0.46
EPHX2 P34913 1/20 0.45
DGAT1 O75907 1/20 0.44
TP53 P04637 1/20 0.44
MAPT P10636 1/20 0.41
CCR3 P51677 3/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
DDX3X O00571 1/20 0.41
TRPV1 Q8NER1 1/20 0.41
NPC1 O15118 2/20 0.41
RAB9A P51151 2/20 0.41
LMNA P02545 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
KDM4E B2RXH2 1/20 0.40
ALDH1A1 P00352 1/20 0.40
THRB P10828 1/20 0.40
NOX1 Q9Y5S8 1/20 0.40

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 0.84 HTR1F (0.54) HTR1FPOLBTSHRMAPTMEN1
SCHEMBL5212195 0.83 HTR1F (0.56) HTR1FPOLBTSHRMEN1KMT2A
SCHEMBL5215939 0.81 HTR1F (0.67) HTR1FEPHX2TP53MEN1KMT2A
SCHEMBL5210434 0.81 HTR1F (0.65) HTR1FMAPTCCR3MEN1KMT2A
SCHEMBL5210794 0.80 HTR1F (0.60) HTR1FMAPTMEN1KMT2ADDX3X
SCHEMBL5216462 0.80 NPC1 (0.61) HTR1FPOLBTP53MAPTMEN1
SCHEMBL5212582 0.80 HTR1F (0.60) HTR1FPOLBEPHX2TP53MAPT
SCHEMBL5210595 0.80 HTR1F (0.60) HTR1FTP53MAPTCCR3MEN1
SCHEMBL5209608 0.79 HTR1F (0.66) HTR1FTP53LMNA
Iodide SCHEMBL5214623 0.79 HTR1F (0.57) HTR1FEPHX2MAPTCCR3MEN1

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 1/4885POLB 4479/4885TSHR 2428/4885

“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.