SCHEMBL20399862

SCHEMBL20399862

NCCCOCCOCCOCCCNC(=S)Nc1ccc2c(c1)C(=O)OC21c2ccc(O)cc2Oc2cc(O)ccc21

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TTR P02766 1/20 0.59
FTO Q9C0B1 8/20 0.55
NAALAD2 Q9Y3Q0 3/20 0.55
JAK2 O60674 1/20 0.53
NQO1 P15559 1/20 0.53
FOLH1 Q04609 1/20 0.48
MIF P14174 1/20 0.48
NR1H2 P55055 1/20 0.48
KEAP1 Q14145 1/20 0.48
RORC P51449 1/20 0.47
DRD1 P21728 1/20 0.47
MEN1 O00255 1/20 0.46
MAPT P10636 1/20 0.46
HPGD P15428 1/20 0.46
CYP2C19 P33261 1/20 0.46
HTT P42858 1/20 0.46
RECQL P46063 1/20 0.46
BLM P54132 1/20 0.46
SMAD3 P84022 1/20 0.46
KMT2A Q03164 1/20 0.46

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
SCHEMBL31435048 1.00 TTR (0.59) TTRFTONAALAD2JAK2NQO1
SCHEMBL27254940 0.99 TTR (0.58) TTRFTONAALAD2JAK2NQO1
SCHEMBL23417780 0.91 TTR (0.64) TTRFTONAALAD2JAK2NQO1
SCHEMBL31542972 0.91 TTR (0.64) TTRFTONAALAD2JAK2NQO1
SCHEMBL31542969 0.91 TTR (0.64) TTRFTONAALAD2JAK2NQO1
SCHEMBL9293647 0.88 FTO (0.64) TTRFTONAALAD2JAK2NQO1
SCHEMBL29368721 0.88 FTO (0.64) TTRFTONAALAD2JAK2NQO1
SCHEMBL16602999 0.84 NAALAD2 (0.60) TTRFTONAALAD2JAK2NQO1
SCHEMBL2261998 0.84 JAK2 (0.56) TTRFTONAALAD2JAK2NQO1
SCHEMBL15744221 0.84 FTO (0.64) TTRFTONAALAD2JAK2NQO1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210379044-A1 NON PEPTIDIC HETEROBIVALENT MOLECULES FOR TREATING INFLAMMATORY DISEASES GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED 2021-12-09 US disclosed
US-20210379044-A1 NON PEPTIDIC HETEROBIVALENT MOLECULES FOR TREATING INFLAMMATORY DISEASES GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED 2021-12-09 US disclosed
US-20190336489-A1 NON PEPTIDE HETEROBIVALENT MOLECULES FOR TREATING INFLAMMATORY DISEASES GLAXOSMITHKLINE IP DEV LTD (GB) 2019-11-07 US disclosed
US-20190336489-A1 NON PEPTIDE HETEROBIVALENT MOLECULES FOR TREATING INFLAMMATORY DISEASES GLAXOSMITHKLINE IP DEV LTD (GB) 2019-11-07 US disclosed
WO-2018134731-A1 NON PEPTIDIC HETEROBIVALENT MOLECULES FOR TREATING INFLAMMATORY DISEASES GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2018-07-26 WO disclosed
WO-2018134731-A1 NON PEPTIDIC HETEROBIVALENT MOLECULES FOR TREATING INFLAMMATORY DISEASES GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2018-07-26 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-20210379044-A1 NON PEPTIDIC HETEROBIVALENT MOLECULES FOR TREATING INFLAMMATORY DISEASES ACKR3, CXCR3, CCL2 TTR 1953/4885FTO 4833/4885NAALAD2 1424/4885
US-20190336489-A1 NON PEPTIDE HETEROBIVALENT MOLECULES FOR TREATING INFLAMMATORY DISEASES ACKR3, CXCR3, CCL2 TTR 1644/4885FTO 4832/4885NAALAD2 1479/4885

“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.