SCHEMBL5370650

SCHEMBL5370650

COC(=O)CCCCCNC(=O)COc1ccc(S(=O)(=O)c2c(OC)ccc3[nH]c(S)nc23)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 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
PDE3B Q13370 1/20 0.35
PDE3A Q14432 1/20 0.35
P2RY12 Q9H244 1/20 0.35
HDAC1 Q13547 2/20 0.35
HDAC2 Q92769 2/20 0.35
HDAC3 O15379 1/20 0.35
HDAC4 P56524 1/20 0.35
HDAC7 Q8WUI4 1/20 0.35
HDAC10 Q969S8 1/20 0.35
HDAC11 Q96DB2 1/20 0.35
HDAC8 Q9BY41 1/20 0.35
HDAC6 Q9UBN7 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
SCHEMBL5366655 0.89 TP53 (0.36) SMN1; SMN2PKMKMT2AMAPK1PDE3B
SCHEMBL5370660 0.87 ALDH1A1 (0.37) ALDH1A1SMN1; SMN2PKMPOLBKMT2A
SCHEMBL5358420 0.81 BRS3 (0.44) ALDH1A1SMN1; SMN2PKMKMT2AMAPK1
SCHEMBL5370913 0.81 ENPP2 (0.34) ALDH1A1SMN1; SMN2PKMKMT2APDE3B
SCHEMBL5366663 0.76 PDE3B (0.36) PKMKMT2AMAPK1PDE3BPDE3A
SCHEMBL5370447 0.76 DGAT1 (0.37) ALDH1A1KMT2AMAPK1
SCHEMBL5360419 0.74 SMN1; SMN2 (0.50) ALDH1A1SMN1; SMN2PKMPOLBKMT2A
SCHEMBL5369389 0.73 CYP2C9 (0.34) ALDH1A1SMN1; SMN2PKMKMT2APDE3B
SCHEMBL5370920 0.72 CYP2C9 (0.36) ALDH1A1SMN1; SMN2PKMKMT2APDE3B
SCHEMBL5358428 0.72 BRS3 (0.46) ALDH1A1SMN1; SMN2PKMKMT2AMAPK1

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 1650/4885SMN1; SMN2 2675/4885PKM 363/4885

“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.