SCHEMBL19367886

SCHEMBL19367886

COCCOCC(=O)NCCCC[C@H](NC(=O)COCCOC)C(=O)C(C)(C)C

nearest known ligand 0.42

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ GLP1R P43220 8/20 0.42
▸ TSHR P16473 1/20 0.37
▸ NPC1 O15118 1/20 0.35
▸ LMNA P02545 1/20 0.35
▸ RAB9A P51151 1/20 0.35
▸ SMN1; SMN2 Q16637 1/20 0.35
▸ NAMPT P43490 1/20 0.35
▸ C3AR1 Q16581 1/20 0.34
▸ SCN9A Q15858 1/20 0.33
▸ EPHX2 P34913 2/20 0.32
▸ HPGD P15428 2/20 0.32
▸ ALDH1A1 P00352 1/20 0.32

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
SCHEMBL19375656 0.86 GLP1R (0.44) GLP1RTSHRNPC1LMNARAB9A
SCHEMBL22096266 0.85 GLP1R (0.46) GLP1RTSHRNPC1LMNARAB9A
SCHEMBL17531842 0.85 GLP1R (0.44) GLP1RTSHRNPC1LMNARAB9A
SCHEMBL25585043 0.85 GLP1R (0.46) GLP1RTSHRNPC1LMNARAB9A
SCHEMBL19375717 0.84 GLP1R (0.43) GLP1RTSHRNPC1LMNARAB9A
SCHEMBL25579755 0.84 GLP1R (0.43) GLP1RTSHRNPC1LMNARAB9A
SCHEMBL19375648 0.82 GLP1R (0.49) GLP1RTSHRNPC1LMNARAB9A
SCHEMBL19375755 0.82 GLP1R (0.49) GLP1RTSHRNPC1LMNARAB9A
SCHEMBL19375657 0.81 TSHR (0.36) GLP1RTSHRNPC1LMNARAB9A
SCHEMBL13699548 0.81 GLP1R (0.46) GLP1RTSHRNAMPTEPHX2ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170266308-A1 SMALL MOLECULE CONJUGATES SPECIFICALLY ACTIVATED IN TUMOR MICROENVIROMENT FOR TARGETING AND USE THEREOF YAFEI SHANGHAI BIOLOG MEDICINE SCIENCE & TECHNOLOGY CO. LTD. (CN) 2017-09-21 — — 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-20170266308-A1 SMALL MOLECULE CONJUGATES SPECIFICALLY ACTIVATED IN TUMOR MICROENVIROMENT FOR TARGETING AND USE THEREOF CD4, MET, TNFSF10 GLP1R 4649/4885TSHR 2160/4885NPC1 3985/4885

“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.

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