SCHEMBL2994280

SCHEMBL2994280

CCOc1cc(C(CC(=O)OC)N2Cc3cscc3C2=O)ccc1OC

nearest known ligand 0.61

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 7/20 0.61
PDE4B Q07343 7/20 0.61
PDE4C Q08493 7/20 0.61
PDE4D Q08499 7/20 0.61
TP53 P04637 1/20 0.53
TNF P01375 8/20 0.51
MEN1 O00255 1/20 0.48
KMT2A Q03164 1/20 0.48
MAPT P10636 1/20 0.46

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
SCHEMBL15015437 0.96 TP53 (0.57) PDE4APDE4BPDE4CPDE4DTP53
SCHEMBL825658 0.87 PDE4A (0.72) PDE4APDE4BPDE4CPDE4DTP53
SCHEMBL15015485 0.84 PDE4A (0.81) PDE4APDE4BPDE4CPDE4DTNF
SCHEMBL2985063 0.84 PDE4B (0.61) PDE4APDE4BPDE4CPDE4DTP53
SCHEMBL15015431 0.81 PDE4A (0.74) PDE4APDE4BPDE4CPDE4DTNF
SCHEMBL2999640 0.80 PDE4A (0.56) PDE4APDE4BPDE4CPDE4DTP53
SCHEMBL28414443 0.80 PDE4A (0.65) PDE4APDE4BPDE4CPDE4DTP53
SCHEMBL825643 0.80 PDE4A (0.61) PDE4APDE4BPDE4CPDE4DTP53
SCHEMBL7885470 0.79 TNF (0.69) PDE4APDE4BPDE4CPDE4DTP53
SCHEMBL825856 0.79 PDE4A (0.60) PDE4APDE4BPDE4CPDE4DTP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8466191-B2 Pyrroline derivatives against cell releasing tumor necrosis factor, preparation methods and uses thereof ZHANG HESHENG (CN) 2013-06-18 US claimed
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

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 PDE4A 2306/4885PDE4B 2498/4885PDE4C 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.