SCHEMBL4217123

SCHEMBL4217123

C#CCCCC(=O)NCCNc1cccc2c(S(=O)(=O)O)cccc12

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP1A2 P05177 5/20 0.40
▸ CYP3A4 P08684 5/20 0.40
▸ CYP2D6 P10635 4/20 0.40
▸ CA12 O43570 1/20 0.38
▸ CA4 P22748 1/20 0.38
▸ CA7 P43166 1/20 0.38
▸ CA9 Q16790 1/20 0.38
▸ CA14 Q9ULX7 1/20 0.38
▸ PRKAG1 P54619 1/20 0.35
▸ PRKAA1 Q13131 1/20 0.35
▸ PRKAB1 Q9Y478 1/20 0.35
▸ TTR P02766 1/20 0.35
▸ HDAC4 P56524 1/20 0.35
▸ HDAC10 Q969S8 1/20 0.35
▸ HDAC6 Q9UBN7 1/20 0.35
▸ HDAC5 Q9UQL6 1/20 0.35
▸ BCHE P06276 1/20 0.34
▸ NPY5R Q15761 2/20 0.34
▸ TP53 P04637 4/20 0.33
▸ CYP2C9 P11712 3/20 0.33

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
SCHEMBL21347987 0.85 CA12 (0.47) CYP1A2CYP3A4CA12CA4CA7
SCHEMBL22793508 0.83 TTR (0.43) CYP1A2CYP3A4CYP2D6CA12CA4
SCHEMBL25745 0.80 CA12 (0.44) CYP1A2CA12CA4CA7CA9
SCHEMBL29358898 0.80 CA12 (0.44) CYP1A2CA12CA4CA7CA9
SCHEMBL29355645 0.80 CA12 (0.44) CYP1A2CA12CA4CA7CA9
SCHEMBL21347989 0.80 CA12 (0.47) CYP1A2CYP3A4CA12CA4CA7
SCHEMBL9626308 0.80 CA12 (0.44) CYP1A2CA12CA4CA7CA9
SCHEMBL22793503 0.80 CYP1A2 (0.43) CYP1A2CA12CA4CA7CA9
SCHEMBL134374 0.78 CA12 (0.47) CYP1A2CYP3A4CYP2D6CA12CA4
SCHEMBL6128009 0.77 CA12 (0.63) CYP1A2CYP3A4CYP2D6CA12CA4

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-20090023725-A1 Fused Heteroaryl Derivatives for Use as P38 Kinase Inhibitors SMITHKLINE BEECHAM CORPORATION 2009-01-22 — — US claimed
EP-1708996-B1 FUSED HETEROYRAL DERIVATIVES FOR USE AS P38 KINASE INHIBITORS SMITHKLINE BEECHAM CORP (US) 2008-08-27 — — EP claimed
US-9725529-B2 Compositions and methods for making and using multifunctional polymerized liposomes UNIVERSITY OF HOUSTON (US) 2017-08-08 — — US disclosed
US-20130324738-A1 COMPOSITIONS AND METHODS FOR MAKING AND USING MULTIFUNCTIONAL POLYMERIZED LIPOSOMES UNIVERSITY OF HOUSTON (US) 2013-12-05 — — US disclosed
US-8506993-B2 Compositions and methods for making and using multifunctional polymerized liposomes UNIVERSITY OF HOUSTON (US) 2013-08-13 — — US disclosed
US-20090162424-A1 COMPOSITIONS AND METHODS FOR MAKING AND USING MULTIFUNCTIONAL POLYMERIZED LIPOSOMES UNIVERSITY OF HOUSTON 2009-06-25 — — US disclosed
US-20090023725-A1 Fused Heteroaryl Derivatives for Use as P38 Kinase Inhibitors SMITHKLINE BEECHAM CORPORATION 2009-01-22 — — US disclosed
EP-1708996-B1 FUSED HETEROYRAL DERIVATIVES FOR USE AS P38 KINASE INHIBITORS SMITHKLINE BEECHAM CORP (US) 2008-08-27 — — EP 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-20090023725-A1 Fused Heteroaryl Derivatives for Use as P38 Kinase Inhibitors MAPK1, MAPKAPK2, MAPK7 CYP1A2 1956/4885CYP3A4 3569/4885CYP2D6 2516/4885

“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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