SCHEMBL2987994

SCHEMBL2987994

COC(=O)CC(N)c1ccc(OC)c(OC(C)C)c1

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TNF P01375 9/20 0.47
PDE4B Q07343 5/20 0.47
PDE4A P27815 4/20 0.47
PDE4C Q08493 4/20 0.47
PDE4D Q08499 4/20 0.47
ACHE P22303 2/20 0.45
CA1 P00915 1/20 0.42
CA2 P00918 1/20 0.42
CYP1A2 P05177 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
KMT2A Q03164 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41

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
Hydrochloric Acid SCHEMBL23000613 0.99 TNF (0.46) TNFPDE4BPDE4APDE4CPDE4D
SCHEMBL3001132 0.95 TNF (0.47) TNFPDE4BPDE4APDE4CPDE4D
SCHEMBL2987068 0.90 TNF (0.55) TNFPDE4BPDE4APDE4CPDE4D
SCHEMBL6251186 0.90 TNF (0.55) TNFPDE4BPDE4APDE4CPDE4D
SCHEMBL5941271 0.90 TNF (0.55) TNFPDE4BPDE4APDE4CPDE4D
Hydrochloric Acid SCHEMBL5743883 0.89 TNF (0.54) TNFPDE4BPDE4APDE4CPDE4D
Acetic Acid SCHEMBL6324143 0.86 ACHE (0.54) TNFPDE4BPDE4APDE4CPDE4D
Hydrochloric Acid SCHEMBL21494509 0.85 PDE4A (0.47) TNFPDE4BPDE4APDE4CPDE4D
SCHEMBL2995776 0.84 PDE4A (0.60) TNFPDE4BPDE4APDE4CPDE4D
SCHEMBL3558885 0.84 PDE4A (0.60) TNFPDE4BPDE4APDE4CPDE4D

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
CN-110386893-A Isoindole derivatives 天津合美医药科技有限公司 2019-10-29 CN disclosed
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 TNF 1/4885PDE4B 2498/4885PDE4A 2306/4885

“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.