SCHEMBL4092239

SCHEMBL4092239

CCOC(=O)C(Cc1ccccc1I)NCC(=O)C(Cc1ccccc1)NCC(=O)OC(C)(C)C

nearest known ligand 0.49

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ ITGA4 P13612 2/20 0.49
▸ ITGB7 P26010 2/20 0.49
▸ MAPT P10636 4/20 0.44
▸ TDP1 Q9NUW8 4/20 0.44
▸ POLB P06746 1/20 0.40
▸ KDM4E B2RXH2 1/20 0.38
▸ NPSR1 Q6W5P4 1/20 0.38
▸ ACE P12821 1/20 0.38
▸ MMP8 P22894 1/20 0.38
▸ SCN9A Q15858 1/20 0.38
▸ CTSS P25774 2/20 0.37
▸ CTSL P07711 1/20 0.37
▸ CTSB P07858 1/20 0.37
▸ CTSK P43235 1/20 0.37
▸ GPR142 Q7Z601 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
SCHEMBL3160853 0.91 ITGA4 (0.42) ITGA4ITGB7MAPTTDP1NPSR1
SCHEMBL7439390 0.87 ITGA4 (0.53) ITGA4ITGB7MAPTTDP1POLB
SCHEMBL6600210 0.87 ITGA4 (0.53) ITGA4ITGB7MAPTTDP1POLB
SCHEMBL7439396 0.87 ITGA4 (0.53) ITGA4ITGB7MAPTTDP1POLB
SCHEMBL3161587 0.83 ITGA4 (0.42) ITGA4ITGB7MAPTTDP1POLB
SCHEMBL6428127 0.81 ITGA4 (0.62) ITGA4ITGB7MAPTTDP1POLB
SCHEMBL7428724 0.80 ITGA4 (0.59) ITGA4ITGB7MAPTTDP1POLB
SCHEMBL7428720 0.80 ITGA4 (0.59) ITGA4ITGB7MAPTTDP1POLB
SCHEMBL4022463 0.78 ITGA4 (0.58) ITGA4ITGB7MAPTTDP1POLB
SCHEMBL4022466 0.78 ITGA4 (0.58) ITGA4ITGB7MAPTTDP1POLB

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-8450301-B2 Piperazine compounds with a herbicidal action BASF SE (DE) 2013-05-28 — — US disclosed
US-20090156553-A1 PIPERAZINE COMPOUNDS WITH A HERBICIDAL ACTION BASF SE (DE) 2009-06-18 — — 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-20090156553-A1 PIPERAZINE COMPOUNDS WITH A HERBICIDAL ACTION DDT, CAT, CIP2A ITGA4 4796/4885ITGB7 4742/4885MAPT 3351/4885

“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.

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