SCHEMBL15545958

SCHEMBL15545958

CCCCCCCCCCCCCC#CC(O)C(N)CO

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 4/20 0.52
MAPT P10636 4/20 0.52
SPHK1 Q9NYA1 3/20 0.52
GMNN O75496 3/20 0.52
LMNA P02545 3/20 0.52
POLB P06746 3/20 0.52
BLM P54132 3/20 0.52
CETP P11597 3/20 0.52
UBE2N P61088 3/20 0.52
THPO P40225 2/20 0.52
TP53 P04637 2/20 0.52
CYP1A2 P05177 2/20 0.52
MTOR P42345 1/20 0.52
KDM4E B2RXH2 1/20 0.52
CYP3A4 P08684 1/20 0.52
HTT P42858 1/20 0.52
MEN1 O00255 3/20 0.45
KMT2A Q03164 3/20 0.45
GLA P06280 2/20 0.45
THRB P10828 2/20 0.45

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
SCHEMBL28707678 0.79 HMGCR (0.45) LMNA
SCHEMBL28450410 0.76 PTPN7 (0.42) THRB
SCHEMBL30088469 0.76 PTPN7 (0.47) MAPTPOLBBLMKDM4EMEN1
SCHEMBL7584060 0.76 PTPN7 (0.47) MAPTPOLBBLMKDM4EMEN1
SCHEMBL29389418 0.76 PTPN7 (0.47) MAPTPOLBBLMKDM4EMEN1
SCHEMBL31268366 0.76 PTPN7 (0.42) THRB
SCHEMBL7749492 0.76 PTPN7 (0.47) MAPTPOLBBLMKDM4EMEN1
SCHEMBL31112881 0.76 PTPN7 (0.47) MAPTPOLBBLMKDM4EMEN1
SCHEMBL31314896 0.76 PTPN7 (0.47) MAPTPOLBBLMKDM4EMEN1
SCHEMBL31682163 0.75 PTPN7 (0.42) MAPTPOLBBLMKDM4EMEN1

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
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
WO-2013177121-A2 IDENTIFICATION AND QUANTIFICATION OF INTACT GLYCOPEPTIDES IN COMPLEX SAMPLES INDIANA UNIVERSITY RESEARCH AND TECHNOLOGY CORPORATION (US) 2013-11-28 WO 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 CYP2D6 4407/4885MAPT 4762/4885SPHK1 44/4885

“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.