SCHEMBL17817517

SCHEMBL17817517

CCCCCCCCCCCCCCn1cc[n+](CCCS(=O)(=O)O)c1

nearest known ligand 0.57

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.57
HSP90AA1 P07900 1/20 0.57
KMT2A Q03164 1/20 0.57
SMN1; SMN2 Q16637 1/20 0.57
FDPS P14324 19/20 0.49

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
SCHEMBL31168022 1.00 MEN1 (0.57) MEN1HSP90AA1KMT2ASMN1; SMN2FDPS
SCHEMBL31167993 0.96 MEN1 (0.56) MEN1HSP90AA1KMT2ASMN1; SMN2FDPS
SCHEMBL14644851 0.94 MEN1 (0.53) MEN1HSP90AA1KMT2ASMN1; SMN2FDPS
SCHEMBL23117618 0.94 MEN1 (0.49) MEN1HSP90AA1KMT2ASMN1; SMN2FDPS
SCHEMBL34146 0.93 MEN1 (0.51) MEN1HSP90AA1KMT2ASMN1; SMN2FDPS
SCHEMBL13161377 0.92 MEN1 (0.49) MEN1HSP90AA1KMT2ASMN1; SMN2FDPS
Trifluoromethanesulfonic Acid SCHEMBL1976895 0.91 MEN1 (0.48) MEN1HSP90AA1KMT2ASMN1; SMN2FDPS
SCHEMBL34147 0.90 MEN1 (0.48) MEN1HSP90AA1KMT2ASMN1; SMN2FDPS
SCHEMBL34726 0.89 FDPS (0.46) MEN1HSP90AA1KMT2ASMN1; SMN2FDPS
SCHEMBL10231654 0.88 MEN1 (0.40) MEN1HSP90AA1KMT2ASMN1; SMN2FDPS

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2016094226-A1 PREVENTION AND TREATMENT OF INFLAMMATORY CONDITIONS GLYCOREGIMMUNE, INC. (US) 2016-06-16 WO disclosed
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 MEN1 4785/4885HSP90AA1 2326/4885KMT2A 411/4885

“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.