SCHEMBL17817627

SCHEMBL17817627

CCCCCCCCCCCCCC[N+](C)(CCS(=O)(=O)O)CCS(=O)(=O)O

nearest known ligand 0.45

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
DNM1 Q05193 11/20 0.45
HTT P42858 2/20 0.43
ENPP2 Q13822 1/20 0.41
SLC22A1 O15245 1/20 0.41
LSS P48449 1/20 0.40
KMT2A Q03164 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
SCHEMBL17817245 1.00 DNM1 (0.45) DNM1HTTENPP2SLC22A1LSS
SCHEMBL332175 0.92 DNM1 (0.43) DNM1HTTENPP2SLC22A1LSS
SCHEMBL330533 0.92 DNM1 (0.43) DNM1HTTENPP2SLC22A1LSS
SCHEMBL14556985 0.92 ENPP2 (0.45) DNM1HTTENPP2SLC22A1LSS
SCHEMBL331764 0.92 DNM1 (0.43) DNM1HTTENPP2SLC22A1LSS
SCHEMBL330853 0.92 DNM1 (0.43) DNM1HTTENPP2SLC22A1LSS
Water SCHEMBL29991942 0.90 ENPP2 (0.44) DNM1HTTENPP2SLC22A1LSS
SCHEMBL330578 0.90 DNM1 (0.48) DNM1HTTSLC22A1LSSKMT2A
SCHEMBL332291 0.90 DNM1 (0.48) DNM1HTTSLC22A1LSSKMT2A
SCHEMBL330697 0.90 DNM1 (0.48) DNM1HTTSLC22A1LSSKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160158258-A1 PREVENTION AND TREATMENT OF INFLAMMATORY CONDITIONS ALTIUM GROWTH FUND, LP 2016-06-09 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-20160158258-A1 PREVENTION AND TREATMENT OF INFLAMMATORY CONDITIONS RXRA, RXRG, CX3CR1 DNM1 3773/4885HTT 4263/4885ENPP2 91/4885

“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.