SCHEMBL1301975

SCHEMBL1301975

CC(=O)Nc1ccc2oc3c(OC(F)F)ccc(-c4nc(C(=O)NC5CCC(O)CC5)cs4)c3c2c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 8/20 1.00
PDE4D Q08499 1/20 0.40
PIM1 P11309 4/20 0.38
PIM2 Q9P1W9 2/20 0.38
TYR P14679 1/20 0.38
ROCK2 O75116 2/20 0.34
BRD4 O60885 2/20 0.34
TRIM24 O15164 1/20 0.34
BRD1 O95696 1/20 0.34
CHRNA1 P02708 1/20 0.34
CCL2 P13500 1/20 0.34
TAF1 P21675 1/20 0.34
ACHE P22303 1/20 0.34
BRD2 P25440 1/20 0.34
HTR1D P28221 1/20 0.34
ADORA2A P29274 1/20 0.34
SMARCA2 P51531 1/20 0.34
SMARCA4 P51532 1/20 0.34
BRPF1 P55201 1/20 0.34
EP300 Q09472 1/20 0.34

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
SCHEMBL15381131 0.90 PDE4B (1.00) PDE4BPDE4DPIM1PIM2TYR
SCHEMBL1302064 0.88 PDE4B (0.79) PDE4BPDE4DPIM1PIM2TYR
SCHEMBL1300799 0.86 PDE4B (1.00) PDE4BPIM1PIM2TYRTLR9
SCHEMBL1301918 0.85 PDE4B (0.74) PDE4BPDE4DPIM1PIM2ACHE
SCHEMBL12108289 0.81 PDE4B (0.84) PDE4BPDE4DPIM1PIM2TYR
SCHEMBL1301273 0.78 PDE4B (1.00) PDE4BPDE4D
SCHEMBL1300745 0.78 PDE4B (1.00) PDE4BPIM1PIM2TYRTLR9
SCHEMBL1301937 0.77 PDE4B (0.78) PDE4BPDE4DTLR9TLR8TLR7
SCHEMBL12108315 0.77 PDE4B (0.78) PDE4BPDE4DTLR9TLR8TLR7
SCHEMBL12108272 0.75 PDE4B (0.60) PDE4BPDE4DPIM1PIM2ACHE

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8580795-B2 Heterocyclic compounds as phosphodiesterase inhibitors ORCHID CHEMICALS & PHARMACEUTICALS LIMITED (IN) 2013-11-12 US claimed
US-20110269753-A1 HETEROCYCLIC COMPOUNDS AS PHOSPHODIESTERASE INHIBITORS ORCHID RESEARCH LABORATORIES LTD. (IN) 2011-11-03 US claimed
US-8580795-B2 Heterocyclic compounds as phosphodiesterase inhibitors ORCHID CHEMICALS & PHARMACEUTICALS LIMITED (IN) 2013-11-12 US disclosed
US-8580795-B2 Heterocyclic compounds as phosphodiesterase inhibitors ORCHID CHEMICALS & PHARMACEUTICALS LIMITED (IN) 2013-11-12 US disclosed
US-8580795-B2 Heterocyclic compounds as phosphodiesterase inhibitors ORCHID CHEMICALS & PHARMACEUTICALS LIMITED (IN) 2013-11-12 US disclosed
US-20110269753-A1 HETEROCYCLIC COMPOUNDS AS PHOSPHODIESTERASE INHIBITORS ORCHID RESEARCH LABORATORIES LTD. (IN) 2011-11-03 US disclosed
US-20110269753-A1 HETEROCYCLIC COMPOUNDS AS PHOSPHODIESTERASE INHIBITORS ORCHID RESEARCH LABORATORIES LTD. (IN) 2011-11-03 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-20110269753-A1 HETEROCYCLIC COMPOUNDS AS PHOSPHODIESTERASE INHIBITORS PDE4A, PDE4B, PDE4C PDE4B 2/4885PDE4D 4/4885PIM1 4693/4885

“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.