SCHEMBL20137186

SCHEMBL20137186

COC(=O)[C@@H]1C[C@H](OCCOCCOCCOCCOCc2ccccc2)CN1C(=O)OC(C)(C)C

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ABCB1 P08183 1/20 0.44
MCL1 Q07820 8/20 0.42
KLK7 P49862 1/20 0.42
UCHL1 P09936 1/20 0.41
P2RX3 P56373 1/20 0.41
LIPG Q9Y5X9 1/20 0.39
NR1H2 P55055 1/20 0.38
NR1H3 Q13133 1/20 0.38
JAK2 O60674 1/20 0.38
JAK1 P23458 1/20 0.38
KLK5 Q9Y337 1/20 0.38
HTRA1 Q92743 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37

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
SCHEMBL19894190 1.00 ABCB1 (0.44) ABCB1MCL1KLK7UCHL1P2RX3
SCHEMBL23552861 0.99 ABCB1 (0.45) ABCB1MCL1KLK7UCHL1P2RX3
SCHEMBL1238420 0.90 ABCB1 (0.46) ABCB1MCL1KLK7UCHL1P2RX3
SCHEMBL1238418 0.90 ABCB1 (0.46) ABCB1MCL1KLK7UCHL1P2RX3
SCHEMBL23461642 0.90 AGTR2 (0.46) ABCB1MCL1KLK7UCHL1LIPG
SCHEMBL18093988 0.90 ABCB1 (0.52) ABCB1MCL1KLK7UCHL1P2RX3
SCHEMBL475487 0.90 ABCB1 (0.52) ABCB1MCL1KLK7UCHL1P2RX3
SCHEMBL3854950 0.90 ABCB1 (0.52) ABCB1MCL1KLK7UCHL1P2RX3
SCHEMBL475486 0.90 ABCB1 (0.52) ABCB1MCL1KLK7UCHL1P2RX3
SCHEMBL3191348 0.90 ABCB1 (0.52) ABCB1MCL1KLK7UCHL1P2RX3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3286169-B1 PROTAC COMPOUNDS MODULATING RIP2 KINASE ACTIVITY GLAXOSMITHKLINE IP DEV LTD (GB) 2020-10-07 EP disclosed
EP-3286169-B1 PROTAC COMPOUNDS MODULATING RIP2 KINASE ACTIVITY GLAXOSMITHKLINE IP DEV LTD (GB) 2020-10-07 EP disclosed
US-10435391-B2 Compounds GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2019-10-08 US disclosed
US-10435391-B2 Compounds GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2019-10-08 US disclosed
US-20180134688-A1 NOVEL COMPOUNDS GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2018-05-17 US disclosed
US-20180134688-A1 NOVEL COMPOUNDS GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2018-05-17 US disclosed
US-20180134688-A1 NOVEL COMPOUNDS GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2018-05-17 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 (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-10435391-B2 Compounds RIPK2, RIPK1, RIPK4 ABCB1 2402/4885MCL1 972/4885KLK7 3981/4885
US-20180134688-A1 NOVEL COMPOUNDS RIPK2, RIPK1, RIPK4 ABCB1 2761/4885MCL1 986/4885KLK7 4112/4885

“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.