SCHEMBL16596209

SCHEMBL16596209

O=S(=O)(Oc1ccc(N(c2ccc(-c3cccc4c3sc3ccccc34)cc2)c2ccc(-c3cccc4c3sc3ccccc34)cc2)cc1)C(F)(F)F

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALOX5 P09917 1/20 0.43
▸ PRKDC P78527 3/20 0.36
▸ PARP14 Q460N5 1/20 0.36
▸ CA1 P00915 2/20 0.32
▸ CA2 P00918 2/20 0.32
▸ NPC1 O15118 1/20 0.32
▸ ALDH1A1 P00352 1/20 0.32
▸ TP53 P04637 1/20 0.32
▸ MAPT P10636 1/20 0.32
▸ HPGD P15428 1/20 0.32
▸ ALOX15 P16050 1/20 0.32
▸ TSHR P16473 1/20 0.32
▸ NFKB1 P19838 1/20 0.32
▸ MAPK1 P28482 1/20 0.32
▸ RAB9A P51151 1/20 0.32
▸ NFKB2 Q00653 1/20 0.32
▸ RELA Q04206 1/20 0.32
▸ SMN1; SMN2 Q16637 1/20 0.32
▸ HSD17B10 Q99714 1/20 0.32
▸ STS P08842 1/20 0.32

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
SCHEMBL17030508 0.93 ALOX5 (0.48) ALOX5PRKDCPARP14CA1CA2
SCHEMBL16596206 0.90 PRKDC (0.36) ALOX5PRKDCPARP14PIK3CDBRD4
SCHEMBL16596324 0.90 ALOX5 (0.35) ALOX5PRKDCPARP14TP53PPARG
SCHEMBL16596366 0.89 PRKDC (0.35) ALOX5PRKDCPIK3CDBRD4PIK3CA
SCHEMBL18164693 0.87 ALOX5 (0.40) ALOX5PRKDCPARP14SLC9A1TNKS
SCHEMBL16596210 0.86 ALOX5 (0.35) ALOX5PRKDC
SCHEMBL1804979 0.85 CA1 (0.34) PARP14CA1CA2STSPTPN7
SCHEMBL16543279 0.82 ALOX5 (0.47) ALOX5PRKDCPARP14CA1CA2
SCHEMBL12925533 0.82 ALOX5 (0.56) ALOX5PRKDCPARP14ALDH1A1MAPT
SCHEMBL74128 0.82 ALOX5 (0.56) ALOX5PRKDCPARP14ALDH1A1MAPT

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-9425402-B2 Polymerizable monomer, and material for organic device, hole injection/transport material, material for organic electroluminescence element and organic electroluminescent element each comprising polymer (polymeric compound) of the polymerizable monomer IDEMITSU KOSAN CO., LTD. (JP) 2016-08-23 — — US disclosed
US-20150084031-A1 NOVEL POLYMERIZABLE MONOMER, AND MATERIAL FOR ORGANIC DEVICE, HOLE INJECTION/TRANSPORT MATERIAL, MATERIAL FOR ORGANIC ELECTROLUMINESCENCE ELEMENT AND ORGANIC ELECTROLUMINESCENT ELEMENT EACH COMPRISING POLYMER (POLYMERIC COMPOUND) OF THE POLYMERIZABLE MONOMER IDEMITSU KOSAN CO (JP) 2015-03-26 — — 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-20150084031-A1 NOVEL POLYMERIZABLE MONOMER, AND MATERIAL FOR ORGANIC DEVICE, HOLE INJECTION/TRANSPORT MATERIAL, MATERIAL FOR ORGANIC ELECTROLUMINESCENCE ELEMENT AND ORGANIC ELECTROLUMINESCENT ELEMENT EACH COMPRISING POLYMER (POLYMERIC COMPOUND) OF THE POLYMERIZABLE MONOMER EPB41, USE1, EPB41L2 ALOX5 919/4885PRKDC 4823/4885PARP14 1119/4885

“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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