Lactic Acid

Lactic Acid

SCHEMBL5213290

CC(O)C(=O)O.CN1CCC(C(=O)c2cccc(NC(=O)Nc3ccccc3OC(F)(F)F)c2)CC1

nearest known ligand 0.52

Full drug profile on Sugi Atlas →

Known targets — ChEMBL curated mechanism

CHRM1DRD2DRD3DRD4HDAC1HDAC10HDAC11HDAC2HDAC3HDAC4HDAC5HDAC6HDAC7HDAC8HDAC9HRH1HTR2APDE3ASIGMAR1

The experimentally established mechanism targets of Lactic Acid. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HTR1F P30939 3/20 0.52
RAB9A P51151 2/20 0.46
NPC1 O15118 1/20 0.46
MAPT P10636 2/20 0.43
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
DGAT1 O75907 1/20 0.43
ALDH1A1 P00352 1/20 0.42
CCKBR P32239 2/20 0.41
EPHX2 P34913 1/20 0.41
KDR P35968 2/20 0.41
IDH1 O75874 1/20 0.41
BRAF P15056 1/20 0.41
CCR3 P51677 2/20 0.40
P2RY1 P47900 1/20 0.40
HSD11B1 P28845 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
Iodide SCHEMBL5214623 0.93 HTR1F (0.57) HTR1FRAB9ANPC1MAPTMEN1
Lactic Acid SCHEMBL5213297 0.90 HTR1F (0.56) HTR1FMEN1KMT2AEPHX2KDR
SCHEMBL5208614 0.84 HTR1F (0.56) HTR1FMEN1KMT2AHSD11B1
Fumaric Acid SCHEMBL5210535 0.82 HTR1F (0.52) HTR1FMAPTMEN1KMT2AALDH1A1
Sulfurous Acid SCHEMBL5906428 0.82 HTR1F (0.53) HTR1FMAPTMEN1KMT2AALDH1A1
SCHEMBL5212394 0.80 HTR1F (0.65) HTR1FMEN1KMT2ABRAFHSD11B1
Lactic Acid SCHEMBL5210160 0.80 HTR1F (0.59) HTR1FMEN1KMT2ACCKBREPHX2
SCHEMBL5215939 0.79 HTR1F (0.67) HTR1FMEN1KMT2AALDH1A1CCKBR
SCHEMBL5210434 0.79 HTR1F (0.65) HTR1FRAB9ANPC1MAPTMEN1
SCHEMBL5210595 0.78 HTR1F (0.60) HTR1FRAB9ANPC1MAPTMEN1

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 1/4885RAB9A 3097/4885NPC1 840/4885

“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.