SCHEMBL2996793

SCHEMBL2996793

COC(=O)CCN1C(=O)c2csc(-c3ccc(OC4CCCC4)c(OC)c3)c2C1=O

nearest known ligand 0.42

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 14/20 0.42
PDE4A P27815 12/20 0.42
PDE4C Q08493 12/20 0.42
PDE4D Q08499 12/20 0.42
P2RX3 P56373 1/20 0.38
MAPT P10636 1/20 0.37
HTT P42858 1/20 0.37
HDAC1 Q13547 1/20 0.37
HDAC2 Q92769 1/20 0.37
RECQL P46063 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
SCHEMBL2986800 0.96 PDE4B (0.46) PDE4BPDE4APDE4CPDE4DP2RX3
SCHEMBL2994679 0.89 LMNA (0.44) MAPT
SCHEMBL2993145 0.84 ALDH1A1 (0.42) PDE4BPDE4APDE4CPDE4DMAPT
SCHEMBL2988976 0.84 LMNA (0.40) MAPTHTT
SCHEMBL2997644 0.83 TSHR (0.41) MAPT
SCHEMBL2999671 0.83 PDE4B (0.42) PDE4BPDE4APDE4CPDE4DMAPT
SCHEMBL3001925 0.82 LMNA (0.40) PDE4BMAPTHTT
SCHEMBL2987999 0.81 PDE4B (0.48) PDE4BPDE4APDE4CPDE4D
SCHEMBL2995604 0.81 TSHR (0.41) PDE4BPDE4APDE4CPDE4DMAPT
SCHEMBL2989776 0.80 PDE4B (0.44) PDE4BPDE4APDE4CPDE4D

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-20100179189-A1 PYRROLINE DERIVATIVES AGAINST CELL RELEASING TUMOR NECROSIS FACTOR, PREPARATION METHODS AND USES THEREOF ZHANG HESHENG 2010-07-15 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-20100179189-A1 PYRROLINE DERIVATIVES AGAINST CELL RELEASING TUMOR NECROSIS FACTOR, PREPARATION METHODS AND USES THEREOF TNF, IL1B, NOS1 PDE4B 2498/4885PDE4A 2306/4885PDE4C 2510/4885

“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.