SCHEMBL10160679

SCHEMBL10160679

O=S(=O)(Oc1ccc(N(c2ccc(-c3ccc(N(c4ccccc4)c4cccc5ccccc45)cc3)cc2)c2cccc3ccccc23)cc1)C(F)(F)F

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 3/20 0.37
CA2 P00918 3/20 0.37
CA9 Q16790 3/20 0.37
TUBB4A P04350 1/20 0.36
TUBB P07437 1/20 0.36
TUBA3C P0DPH7 1/20 0.36
STAT3 P40763 1/20 0.36
TUBA1B P68363 1/20 0.36
TUBA4A P68366 1/20 0.36
TUBB4B P68371 1/20 0.36
TUBB3 Q13509 1/20 0.36
TUBB2A Q13885 1/20 0.36
TUBB8 Q3ZCM7 1/20 0.36
TUBA3E Q6PEY2 1/20 0.36
TUBA1A Q71U36 1/20 0.36
TUBA1C Q9BQE3 1/20 0.36
TUBB6 Q9BUF5 1/20 0.36
TUBB2B Q9BVA1 1/20 0.36
TUBB1 Q9H4B7 1/20 0.36
PGR P06401 1/20 0.34

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
SCHEMBL13715191 1.00 CA1 (0.37) CA1CA2CA9TUBB4ATUBB
SCHEMBL10160721 0.84 PPARG (0.46) CA1CA2CA9PPARGPPARA
SCHEMBL10160674 0.82 CA2 (0.50) CA1CA2CA9KIF11CYP2C9
SCHEMBL10160630 0.82 CA2 (0.50) CA1CA2CA9KIF11CYP2C9
SCHEMBL16125390 0.81 PGR (0.40) TUBB4ATUBBTUBA3CSTAT3TUBA1B
SCHEMBL15661090 0.81 CA2 (0.51) CA1CA2CA9KIF11CA12
SCHEMBL6481487 0.81 SIGMAR1 (0.46) SIGMAR1CYP2C9CYP2C19KDM4E
SCHEMBL76513 0.81 SIGMAR1 (0.46) SIGMAR1CYP2C9CYP2C19KDM4E
SCHEMBL6123830 0.81 SIGMAR1 (0.46) SIGMAR1CYP2C9CYP2C19KDM4E
SCHEMBL75887 0.81 SIGMAR1 (0.46) SIGMAR1CYP2C9CYP2C19KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120018710-A1 NOVEL POLYMERIZABLE MONOMER AND POLYMER OF THE POLYMERIZABLE MONOMER, AND MATERIAL FOR ORGANIC DEVICE, HOLE INJECTION/TRANSPORT MATERIAL AND ORGANIC ELECTROLUMINESCENT ELEMENT EACH COMPRISING THE POLYMER IDEMITSU KOSAN CO., LTD. 2012-01-26 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-20120018710-A1 NOVEL POLYMERIZABLE MONOMER AND POLYMER OF THE POLYMERIZABLE MONOMER, AND MATERIAL FOR ORGANIC DEVICE, HOLE INJECTION/TRANSPORT MATERIAL AND ORGANIC ELECTROLUMINESCENT ELEMENT EACH COMPRISING THE POLYMER EPB41, EPB41L2, AR CA1 4269/4885CA2 4376/4885CA9 4471/4885

“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.