SCHEMBL5370660

SCHEMBL5370660

COC(=O)CCCCCNC(=O)COc1ccc(S(=O)(=O)c2c(OC)ccc3nc(S)[nH]c23)cc1

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.37
PDE3B Q13370 3/20 0.37
PDE3A Q14432 3/20 0.37
P2RY12 Q9H244 3/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
PKM P14618 1/20 0.37
POLB P06746 1/20 0.36
KMT2A Q03164 1/20 0.36
ITGB3 P05106 1/20 0.36
ITGA2B P08514 1/20 0.36
MAPK1 P28482 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2C19 P33261 1/20 0.35
HSD17B10 Q99714 1/20 0.35
PDE2A O00408 1/20 0.35

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
SCHEMBL5366663 0.89 PDE3B (0.36) PDE3BPDE3AP2RY12PKMKMT2A
SCHEMBL5370650 0.87 ALDH1A1 (0.37) ALDH1A1PDE3BPDE3AP2RY12SMN1; SMN2
SCHEMBL5370920 0.81 CYP2C9 (0.36) ALDH1A1PDE3BPDE3AP2RY12SMN1; SMN2
SCHEMBL5359154 0.81 PDE10A (0.40) ALDH1A1POLBKMT2AMAPK1
SCHEMBL5358428 0.81 BRS3 (0.46) ALDH1A1PDE3BPDE3AP2RY12SMN1; SMN2
SCHEMBL5360419 0.76 SMN1; SMN2 (0.50) ALDH1A1SMN1; SMN2PKMPOLBKMT2A
SCHEMBL5366655 0.76 TP53 (0.36) PDE3BPDE3AP2RY12SMN1; SMN2PKM
SCHEMBL5370454 0.76 DGAT1 (0.37) ALDH1A1KMT2AMAPK1
SCHEMBL5369395 0.73 CYP2C9 (0.35) ALDH1A1PDE3BPDE3AP2RY12SMN1; SMN2
SCHEMBL5370913 0.73 ENPP2 (0.34) ALDH1A1PDE3BPDE3AP2RY12SMN1; SMN2

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 ALDH1A1 1650/4885PDE3B 2168/4885PDE3A 1817/4885

“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.