SCHEMBL3377879

SCHEMBL3377879

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

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
HCRTR1 O43613 2/20 0.39
POLB P06746 1/20 0.38
TAAR1 Q96RJ0 1/20 0.38
HPGD P15428 4/20 0.38
NPC1 O15118 3/20 0.38
RAB9A P51151 3/20 0.38
MAPK1 P28482 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
TP53 P04637 1/20 0.38
NFKB1 P19838 1/20 0.38
NFKB2 Q00653 1/20 0.38
RELA Q04206 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
KDM4E B2RXH2 1/20 0.36
ALDH1A1 P00352 1/20 0.36
PKM P14618 1/20 0.36
CA12 O43570 2/20 0.36
CA9 Q16790 2/20 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
SCHEMBL3377883 0.91 HCRTR1 (0.41) MEN1KMT2AHCRTR1HPGDNPC1
SCHEMBL3376465 0.90 ALDH1A1 (0.40) MEN1KMT2AHCRTR1POLBTAAR1
SCHEMBL3377448 0.89 MEN1 (0.41) MEN1KMT2AHCRTR1POLBTAAR1
SCHEMBL3378393 0.88 CA12 (0.43) MEN1KMT2AHCRTR1TAAR1NPC1
SCHEMBL3374780 0.86 POLB (0.39) MEN1KMT2AHCRTR1POLBTAAR1
SCHEMBL3373263 0.86 TSHR (0.50) MEN1KMT2AHCRTR1HPGDSMN1; SMN2
SCHEMBL3374465 0.81 POLB (0.44) MEN1KMT2APOLBTAAR1HPGD
SCHEMBL3376469 0.81 ALDH1A1 (0.42) MEN1KMT2AHCRTR1HPGDNPC1
SCHEMBL3377959 0.81 MEN1 (0.39) MEN1KMT2AHPGDNPC1RAB9A
SCHEMBL3375836 0.81 ALDH1A1 (0.42) MEN1KMT2AHCRTR1POLBTAAR1

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

“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.