SCHEMBL550831

SCHEMBL550831

CCSCC(C)NC(=O)c1cccc(Cl)c1C(=O)O

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TAS1R3 Q7RTX0 1/20 0.45
TAS1R1 Q7RTX1 1/20 0.45
TAS1R2 Q8TE23 1/20 0.45
MEN1 O00255 3/20 0.45
KMT2A Q03164 3/20 0.45
ALDH1A1 P00352 4/20 0.41
TP53 P04637 1/20 0.41
RXFP1 Q9HBX9 1/20 0.41
RAB9A P51151 2/20 0.40
PBRM1 Q86U86 1/20 0.40
HPGD P15428 4/20 0.40
LMNA P02545 1/20 0.39
ITGB1 P05556 2/20 0.39
ITGA4 P13612 2/20 0.39
GPR139 Q6DWJ6 2/20 0.38
POLB P06746 1/20 0.38
NPC1 O15118 1/20 0.38

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
SCHEMBL550830 0.90 TAS1R3 (0.42) TAS1R3TAS1R1TAS1R2MEN1KMT2A
SCHEMBL551662 0.88 TAS1R3 (0.45) TAS1R3TAS1R1TAS1R2MEN1KMT2A
SCHEMBL2891828 0.85 MEN1 (0.45) TAS1R3TAS1R1TAS1R2MEN1KMT2A
SCHEMBL551627 0.85 KMT2A (0.45) MEN1KMT2AALDH1A1TP53RXFP1
SCHEMBL2889834 0.81 ALDH1A1 (0.50) MEN1KMT2AALDH1A1TP53RAB9A
SCHEMBL551796 0.80 PBRM1 (0.49) TAS1R3TAS1R1TAS1R2MEN1KMT2A
SCHEMBL2889721 0.79 MEN1 (0.40) TAS1R3TAS1R1MEN1KMT2AALDH1A1
SCHEMBL551661 0.78 ITGB1 (0.44) TAS1R3TAS1R1TAS1R2MEN1KMT2A
SCHEMBL2162172 0.78 ITGB1 (0.44) TAS1R3TAS1R1TAS1R2MEN1KMT2A
SCHEMBL2891824 0.78 MEN1 (0.42) MEN1KMT2AALDH1A1TP53RXFP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8110689-B2 Benzanilides with insecticidal activity BAYER CROPSCIENE AG (DE) 2012-02-07 US disclosed
US-20100130743-A1 HETEROCYCLE-SUBSTITUTED, N-PHENYL-PHTHALAMIDE DERIVATIVES, RELATED COMPOUNDS AND THEIR USE AS INSECTICIDES BAYER CROPSCIENCE AG (DE) 2010-05-27 US disclosed
US-20100062937-A1 BENZANILIDES WITH INSECTICIDAL ACTIVITY BAYER CROPSCIENCE AG (DE) 2010-03-11 US disclosed
US-7674807-B2 Heterocycle-substituted n-phenyl-phthalamide derivatives, related compounds and their use as insecticides BAYER CROPSCIENCE AG (DE) 2010-03-09 US disclosed
EP-1727804-B1 N1 - ((PYRAZOL-1-YMETHYL) -2-METHYLPHENYL)- PHATALAMIDE DERIVATIVES AND RELATED COMPOUNDS INSECTICIDES BAYER CROPSCIENCE AG (DE) 2009-11-04 EP disclosed
EP-1893567-A1 BENZANILIDES WITH INSECTICIDAL ACTIVITY Bayer CropScience AG (DE) 2008-03-05 EP disclosed
US-20070299085-A1 N1-((Pyrazol-1-Ymethyl)-2-Methylphenyl)-Phatalamide Derivatives And Related Compounds Insecticides BAYER CROPSCIENCE AG (DE) 2007-12-27 US disclosed
WO-2006133823-A1 BENZANILIDES WITH INSECTICIDAL ACTIVITY BAYER CROPSCIENCE AG (DE) 2006-12-21 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 (3 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-20100062937-A1 BENZANILIDES WITH INSECTICIDAL ACTIVITY CBR3, HCN3, HAX1 TAS1R3 1247/4885TAS1R1 2001/4885TAS1R2 1805/4885
US-20100130743-A1 HETEROCYCLE-SUBSTITUTED, N-PHENYL-PHTHALAMIDE DERIVATIVES, RELATED COMPOUNDS AND THEIR USE AS INSECTICIDES DDT, SQOR, CYP2S1 TAS1R3 2239/4885TAS1R1 2475/4885TAS1R2 2657/4885
US-20070299085-A1 N1-((Pyrazol-1-Ymethyl)-2-Methylphenyl)-Phatalamide Derivatives And Related Compounds Insecticides CHRM1, KCNH1, DDT TAS1R3 754/4885TAS1R1 585/4885TAS1R2 753/4885

“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.