SCHEMBL5366663

SCHEMBL5366663

COC(=O)CCCCCNC(=O)COc1cc(C)c(S(=O)(=O)c2c(OC)ccc3nc(S)[nH]c23)c(C)c1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE3B Q13370 4/20 0.36
PDE3A Q14432 4/20 0.36
P2RY12 Q9H244 4/20 0.36
TP53 P04637 1/20 0.36
MAPK1 P28482 1/20 0.36
CYP1A2 P05177 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2C19 P33261 1/20 0.34
HSD17B10 Q99714 1/20 0.34
DHODH Q02127 1/20 0.34
TSHR P16473 1/20 0.34
PDE2A O00408 1/20 0.34
THRB P10828 1/20 0.34
HPGD P15428 1/20 0.34
KMT2A Q03164 1/20 0.33
RXFP1 Q9HBX9 1/20 0.33
DHFR P00374 1/20 0.33
LMNA P02545 1/20 0.33
PKM P14618 1/20 0.33
HDAC3 O15379 1/20 0.33

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
SCHEMBL5370660 0.89 ALDH1A1 (0.37) PDE3BPDE3AP2RY12MAPK1CYP1A2
SCHEMBL5366655 0.88 TP53 (0.36) PDE3BPDE3AP2RY12TP53MAPK1
SCHEMBL5377806 0.82 PDE10A (0.38) PDE3BPDE3AP2RY12HSD17B10TSHR
SCHEMBL5369395 0.82 CYP2C9 (0.35) PDE3BPDE3AP2RY12TP53MAPK1
SCHEMBL5367233 0.82 BRS3 (0.46) TP53MAPK1CYP1A2CYP3A4CYP2C19
SCHEMBL5370650 0.76 ALDH1A1 (0.37) PDE3BPDE3AP2RY12MAPK1KMT2A
SCHEMBL5369389 0.74 CYP2C9 (0.34) PDE3BPDE3AP2RY12TP53CYP1A2
SCHEMBL5370920 0.74 CYP2C9 (0.36) PDE3BPDE3AP2RY12CYP1A2CYP3A4
SCHEMBL5358428 0.74 BRS3 (0.46) PDE3BPDE3AP2RY12MAPK1CYP1A2
SCHEMBL5367213 0.74 BRS3 (0.44) MAPK1CYP1A2CYP3A4CYP2C19HSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7294716-B2 Process for preparing isomerically pure prodrugs of proton pump inhibitors ALLERGAN, INC. (US) 2007-11-13 US disclosed
US-20050038076-A1 Process for preparing isomerically pure prodrugs of proton pump inhibitors ALEVIUM PHARMACEUTICALS, INC. 2005-02-17 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-20050038076-A1 Process for preparing isomerically pure prodrugs of proton pump inhibitors SI, ATP6AP1, HRH2 PDE3B 2168/4885PDE3A 1817/4885P2RY12 634/4885

“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.