SCHEMBL2998889

SCHEMBL2998889

CCOc1cc(C(CCO)NC(=O)OC(C)(C)C)ccc1OC

nearest known ligand 0.51

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 4/20 0.51
LMNA P02545 3/20 0.51
MAPT P10636 1/20 0.51
SMN1; SMN2 Q16637 3/20 0.49
KMT2A Q03164 3/20 0.49
POLB P06746 3/20 0.49
MEN1 O00255 2/20 0.49
PDE4A P27815 4/20 0.42
PDE4B Q07343 4/20 0.42
PDE4C Q08493 4/20 0.42
PDE4D Q08499 4/20 0.42
TP53 P04637 1/20 0.40
HIF1A Q16665 1/20 0.39
KDM4E B2RXH2 1/20 0.39
MAPK1 P28482 1/20 0.39
ALDH1A1 P00352 1/20 0.38
GAA P10253 1/20 0.38

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
SCHEMBL3792356 0.90 NPSR1 (0.52) NPSR1LMNAMAPTSMN1; SMN2KMT2A
SCHEMBL1828546 0.88 SMN1; SMN2 (0.53) NPSR1LMNAMAPTSMN1; SMN2KMT2A
SCHEMBL1828543 0.88 SMN1; SMN2 (0.53) NPSR1LMNAMAPTSMN1; SMN2KMT2A
SCHEMBL536928 0.87 SMN1; SMN2 (0.62) NPSR1LMNAMAPTSMN1; SMN2KMT2A
SCHEMBL20026414 0.87 SMN1; SMN2 (0.47) NPSR1LMNAMAPTSMN1; SMN2KMT2A
SCHEMBL3552861 0.87 SMN1; SMN2 (0.47) NPSR1LMNAMAPTSMN1; SMN2KMT2A
SCHEMBL3552863 0.87 SMN1; SMN2 (0.47) NPSR1LMNAMAPTSMN1; SMN2KMT2A
SCHEMBL2989249 0.86 SMN1; SMN2 (0.46) NPSR1LMNAMAPTSMN1; SMN2KMT2A
SCHEMBL20026415 0.85 PDE4B (0.48) NPSR1LMNAMAPTSMN1; SMN2KMT2A
SCHEMBL537177 0.83 SMN1; SMN2 (0.48) NPSR1LMNAMAPTSMN1; SMN2KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2083011-B1 PYRROLINE DERIVATIVES AGAINST CELL RELEASING TUMOR NECROSIS FACTOR, PREPARATION METHODS AND USES THEREOF TIANJIN HEMAY BIO TECH CO LTD (CN) 2014-06-04 EP disclosed
US-8466191-B2 Pyrroline derivatives against cell releasing tumor necrosis factor, preparation methods and uses thereof ZHANG HESHENG (CN) 2013-06-18 US disclosed
US-20100179189-A1 PYRROLINE DERIVATIVES AGAINST CELL RELEASING TUMOR NECROSIS FACTOR, PREPARATION METHODS AND USES THEREOF ZHANG HESHENG 2010-07-15 US disclosed
EP-2083011-A1 PYRROLINE DERIVATIVES AGAINST CELL RELEASING TUMOR NECROSIS FACTOR, PREPARATION METHODS AND USES THEREOF Tian Jin Hemay Bio-Tech Co., Ltd. (CN) 2009-07-29 EP 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-20100179189-A1 PYRROLINE DERIVATIVES AGAINST CELL RELEASING TUMOR NECROSIS FACTOR, PREPARATION METHODS AND USES THEREOF TNF, IL1B, NOS1 NPSR1 173/4885LMNA 3369/4885MAPT 4812/4885

“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.