SCHEMBL15003220

SCHEMBL15003220

CCCCOC1[C@H](OCCCC)C(OC)OC(CO)[C@@H]1OCCCC

nearest known ligand 0.48

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ TNF P01375 2/20 0.46
▸ MAPK1 P28482 1/20 0.39
▸ GJB2 P29033 1/20 0.39
▸ SSTR1 P30872 1/20 0.38
▸ SSTR2 P30874 1/20 0.38
▸ SSTR4 P31391 1/20 0.38
▸ SSTR3 P32745 1/20 0.38
▸ SSTR5 P35346 1/20 0.38
▸ GBA1 P04062 1/20 0.36
▸ LGALS8 O00214 5/20 0.35
▸ LGALS3 P17931 1/20 0.35
▸ LGALS4 P56470 1/20 0.35
▸ SLC2A1 P11166 1/20 0.33

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
SCHEMBL12898607 1.00 TNF (0.46) TNFMAPK1GJB2SSTR1SSTR2
SCHEMBL12669339 1.00 TNF (0.46) TNFMAPK1GJB2SSTR1SSTR2
SCHEMBL15003149 1.00 TNF (0.46) TNFMAPK1GJB2SSTR1SSTR2
SCHEMBL9008143 1.00 TNF (0.46) TNFMAPK1GJB2SSTR1SSTR2
SCHEMBL15304386 1.00 TNF (0.46) TNFMAPK1GJB2SSTR1SSTR2
SCHEMBL14418209 1.00 TNF (0.46) TNFMAPK1GJB2SSTR1SSTR2
SCHEMBL463607 1.00 TNF (0.46) TNFMAPK1GJB2SSTR1SSTR2
SCHEMBL16254154 0.98 TNF (0.47) TNFMAPK1GJB2SSTR1SSTR2
SCHEMBL27099540 0.98 TNF (0.47) TNFMAPK1GJB2SSTR1SSTR2
SCHEMBL10648977 0.95 TNF (0.51) TNFMAPK1GJB2SSTR1SSTR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9700532-B2 iNKT cell modulators and methods of using the same LUDWIG INSTITUTE FOR CANCER RESEARCH (CH) 2017-07-11 — — US disclosed
US-20160361280-A1 INKT CELL MODULATORS AND METHODS OF USING THE SAME LUDWIG INSTITUTE FOR CANCER RESEARCH (CH) 2016-12-15 — — US disclosed
US-9365496-B2 iNKT cell modulators and methods of using the same LUDWIG INSTITUTE FOR CANCER RESEARCH (CH) 2016-06-14 — — US disclosed
US-20150010496-A1 INKT CELL MODULATORS AND METHODS OF USING THE SAME THE UNIVERSITY OF BIRMINGHAM (GB) 2015-01-08 — — US disclosed
WO-2013079687-A1 INKT CELL MODULATORS AND METHODS OF USING THE SAME THE CHANCELLOR, MASTERS AND SCHOLARS OF THE UNIVERSITY OF OXFORD (GB) 2013-06-06 — — 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 (2 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-20160361280-A1 INKT CELL MODULATORS AND METHODS OF USING THE SAME PBK, NFATC1, UGCG TNF 1072/4885MAPK1 4336/4885GJB2 4101/4885
US-20150010496-A1 INKT CELL MODULATORS AND METHODS OF USING THE SAME PBK, NFATC1, UGCG TNF 1072/4885MAPK1 4336/4885GJB2 4101/4885

“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.

Send feedback