SCHEMBL3017703

SCHEMBL3017703

N#CC(O)c1ccc(OC(F)F)c(OC(F)F)c1

nearest known ligand 0.41

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 18/20 0.41
TSHR P16473 1/20 0.41
PDE4B Q07343 5/20 0.40
PDE4D Q08499 5/20 0.40
PDE4C Q08493 4/20 0.35
KCNH2 Q12809 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
SCHEMBL10920622 0.85 PDE4B (0.38) PDE4ATSHRPDE4BPDE4DPDE4C
SCHEMBL28671929 0.82 PTGER1 (0.43) PDE4ATSHRPDE4BPDE4DPDE4C
SCHEMBL10924599 0.76 TSHR (0.41) PDE4ATSHRPDE4BPDE4DPDE4C
SCHEMBL2534777 0.75 ACHE (0.54) PDE4ATSHRPDE4BPDE4DPDE4C
SCHEMBL2859731 0.75 TSHR (0.48) TSHR
SCHEMBL23717311 0.72 PDE4A (0.46) PDE4APDE4BPDE4DPDE4CKCNH2
SCHEMBL11150174 0.71 ALDH1A1 (0.49) PDE4ATSHRPDE4BPDE4DPDE4C
SCHEMBL10164859 0.71 SLC22A12 (0.43) PDE4APDE4BPDE4DPDE4C
SCHEMBL1201171 0.70 TSHR (0.42) TSHRKCNH2
SCHEMBL12875453 0.69 SLC6A2 (0.46) PDE4ATSHRPDE4BPDE4DPDE4C

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1856096-B1 PHENYLGLYCINAMIDE DERIVATIVES USEFUL AS ANTICOAGULANTS BRISTOL MYERS SQUIBB CO (US) 2010-09-01 EP disclosed
US-7622585-B2 Phenylglycinamide derivatives useful as anticoagulants BRISTOL-MYERS SQUIBB COMPANY (US) 2009-11-24 US disclosed
US-7622585-B2 Phenylglycinamide derivatives useful as anticoagulants BRISTOL-MYERS SQUIBB COMPANY (US) 2009-11-24 US disclosed
US-7622585-B2 Phenylglycinamide derivatives useful as anticoagulants BRISTOL-MYERS SQUIBB COMPANY (US) 2009-11-24 US disclosed
EP-1856096-A2 PHENYLGLYCINAMIDE DERIVATIVES USEFUL AS ANTICOAGULANTS Bristol-Myers Squibb Company (US) 2007-11-21 EP disclosed
US-20060166997-A1 Phenylglycinamide derivatives useful as anticoagulants BRISTOL-MYERS SQUIBB COMPANY 2006-07-27 US disclosed
WO-2006076246-A2 PHENYLGLYCINAMIDE DERIVATIVES USEFUL AS ANTICOAGULANTS BRISTOL-MYERS SQUIBB COMPANY (US) 2006-07-20 WO disclosed
WO-2006076246-A2 PHENYLGLYCINAMIDE DERIVATIVES USEFUL AS ANTICOAGULANTS BRISTOL-MYERS SQUIBB COMPANY (US) 2006-07-20 WO 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-20060166997-A1 Phenylglycinamide derivatives useful as anticoagulants TFPI, SERPINC1, SERPINE1 PDE4A 1853/4885TSHR 4030/4885PDE4B 1893/4885

“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.