SCHEMBL14780999

SCHEMBL14780999

CC(=O)/C=C/c1ccc(N=[N+]=[N-])cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GLA P06280 1/20 0.52
▸ TDP1 Q9NUW8 1/20 0.52
▸ IAPP P10997 2/20 0.50
▸ PTGS1 P23219 1/20 0.50
▸ TP53 P04637 1/20 0.43
▸ FDPS P14324 1/20 0.41
▸ APP P05067 3/20 0.41
▸ CA1 P00915 1/20 0.40
▸ CA2 P00918 1/20 0.40
▸ CA5A P35218 1/20 0.40
▸ CA9 Q16790 1/20 0.40
▸ CA5B Q9Y2D0 1/20 0.40
▸ SCN1A P35498 1/20 0.38
▸ SCN2A Q99250 1/20 0.38
▸ SCN3A Q9NY46 1/20 0.38
▸ FOS P01100 1/20 0.38
▸ JUN P05412 1/20 0.38
▸ ESR1 P03372 1/20 0.37
▸ GAA P10253 2/20 0.37
▸ HTT P42858 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
SCHEMBL15457782 1.00 GLA (0.52) GLATDP1IAPPPTGS1TP53
SCHEMBL13810584 0.86 F3 (0.52) TP53CA1CA2CA5ACA9
SCHEMBL13882622 0.86 F3 (0.52) TP53CA1CA2CA5ACA9
SCHEMBL27744285 0.84 HCAR2 (0.53) GLATDP1TP53APPCA1
SCHEMBL26666666 0.84 HCAR2 (0.53) GLATDP1TP53APPCA1
SCHEMBL13810583 0.81 F3 (0.56) TDP1ESR1F3LMNAMAPT
SCHEMBL28232076 0.81 F3 (0.56) TDP1ESR1F3LMNAMAPT
SCHEMBL30383969 0.81 F3 (0.56) TDP1ESR1F3LMNAMAPT
SCHEMBL28968443 0.80 F3 (0.42) TP53CA1CA2CA5ACA9
SCHEMBL23854165 0.79 CA1 (0.47) TP53CA1CA2CA5ACA9

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-8399684-B2 Sulfonamide-based organocatalysts and method for their use STATE OF OREGON ACTING BY AND THROUGH THE STATE BOARD OF HIGHER EDUCATION ON BEHALF OF OREGON STATE UNIVERSITY (US) 2013-03-19 — — US disclosed
US-20100184986-A1 SULFONAMIDE-BASED ORGANOCATALYSTS AND METHOD FOR THEIR USE The State of Oregon acting by and through the State Board of Higher Education on behalf of Orego 2010-07-22 — — 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-20100184986-A1 SULFONAMIDE-BASED ORGANOCATALYSTS AND METHOD FOR THEIR USE ALDH7A1, SULT1A1, SULT2A1 GLA 2519/4885TDP1 2740/4885IAPP 3772/4885

“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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