SCHEMBL3376469

SCHEMBL3376469

CCSCCNC(=O)c1cccc(OS(=O)(=O)CC)c1C(=O)O

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.42
PKM P14618 2/20 0.42
KDM4E B2RXH2 1/20 0.42
HCRTR1 O43613 2/20 0.40
APOBEC3A P31941 1/20 0.38
APOBEC3G Q9HC16 1/20 0.38
HPGD P15428 6/20 0.38
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
NPSR1 Q6W5P4 3/20 0.37
MAPT P10636 2/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
HIF1A Q16665 1/20 0.37
LMNA P02545 1/20 0.36
HTT P42858 1/20 0.36

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
SCHEMBL3376465 0.91 ALDH1A1 (0.40) ALDH1A1PKMKDM4EHCRTR1APOBEC3A
SCHEMBL3375839 0.91 ALDH1A1 (0.45) ALDH1A1PKMKDM4EHCRTR1APOBEC3A
SCHEMBL3377883 0.90 HCRTR1 (0.41) ALDH1A1PKMKDM4EHCRTR1HPGD
SCHEMBL3376184 0.88 ALDH1A1 (0.40) ALDH1A1PKMKDM4EHCRTR1APOBEC3A
SCHEMBL3378396 0.87 HCRTR1 (0.45) ALDH1A1HCRTR1HPGDNPSR1MEN1
SCHEMBL3373267 0.85 TSHR (0.54) ALDH1A1KDM4EHCRTR1HPGDSMN1; SMN2
SCHEMBL3375836 0.82 ALDH1A1 (0.42) ALDH1A1PKMKDM4EHCRTR1APOBEC3A
SCHEMBL3377879 0.81 MEN1 (0.39) ALDH1A1PKMKDM4EHCRTR1HPGD
SCHEMBL3374470 0.80 POLB (0.47) ALDH1A1KDM4EHCRTR1HPGDSMN1; SMN2
SCHEMBL3376179 0.79 DRD2 (0.39) ALDH1A1PKMKDM4EHCRTR1APOBEC3A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1517886-B1 NOVEL PHTHALAMIDE DERIVATIVES BAYER CROPSCIENCE AG (DE) 2010-11-10 EP disclosed
US-7132455-B2 Phthalamide derivatives BAYER CROPSCIENCE AG (DE) 2006-11-07 US disclosed
US-20060035967-A1 Novel phthalamide derivatives BAYER INTELLECTUAL PROPERTY GMBH (DE) 2006-02-16 US disclosed
EP-1517886-A1 NOVEL PHTHALAMIDE DERIVATIVES Bayer CropScience AG (DE) 2005-03-30 EP disclosed
WO-2004000796-A1 NOVEL PHTHALAMIDE DERIVATIVES BAYER CROPSCIENCE AG (DE) 2003-12-31 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-20060035967-A1 Novel phthalamide derivatives HDAC1, HDAC2, CRY1 ALDH1A1 1071/4885PKM 1543/4885KDM4E 973/4885

“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.