SCHEMBL3377883

SCHEMBL3377883

CCS(=O)(=O)Oc1cccc(C(=O)NCCSC)c1C(=O)O

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HCRTR1 O43613 2/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
HPGD P15428 5/20 0.39
ALDH1A1 P00352 3/20 0.38
KDM4E B2RXH2 1/20 0.38
PKM P14618 1/20 0.38
NPC1 O15118 2/20 0.38
RAB9A P51151 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
TP53 P04637 1/20 0.38
NFKB1 P19838 1/20 0.38
MAPK1 P28482 1/20 0.38
NFKB2 Q00653 1/20 0.38
RELA Q04206 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
HIF1A Q16665 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37

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
SCHEMBL3377879 0.91 MEN1 (0.39) HCRTR1MEN1KMT2AHPGDALDH1A1
SCHEMBL3376469 0.90 ALDH1A1 (0.42) HCRTR1MEN1KMT2AHPGDALDH1A1
SCHEMBL3377451 0.89 MEN1 (0.44) HCRTR1MEN1KMT2AHPGDALDH1A1
SCHEMBL3378396 0.88 HCRTR1 (0.45) HCRTR1MEN1KMT2AHPGDALDH1A1
SCHEMBL3374783 0.86 MEN1 (0.40) HCRTR1MEN1KMT2AHPGDALDH1A1
SCHEMBL3373267 0.86 TSHR (0.54) HCRTR1MEN1KMT2AHPGDALDH1A1
SCHEMBL3374470 0.81 POLB (0.47) HCRTR1MEN1KMT2AHPGDALDH1A1
SCHEMBL3377960 0.81 MEN1 (0.41) MEN1KMT2AHPGDALDH1A1KDM4E
SCHEMBL3376465 0.81 ALDH1A1 (0.40) HCRTR1MEN1KMT2AHPGDALDH1A1
SCHEMBL3375839 0.81 ALDH1A1 (0.45) HCRTR1MEN1KMT2AHPGDALDH1A1

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 HCRTR1 17/4885MEN1 1772/4885KMT2A 102/4885

“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.