SCHEMBL3486566

SCHEMBL3486566

O=C1CCCCC1C(O)c1ccc([N+](=O)[O-])cc1[N+](=O)[O-]

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 2/20 0.46
PTGS1 P23219 1/20 0.43
PTGS2 P35354 1/20 0.43
SLC18A3 Q16572 1/20 0.42
ALDH1A1 P00352 6/20 0.41
MAPT P10636 5/20 0.41
GAA P10253 2/20 0.41
ALPG P10696 1/20 0.41
LMNA P02545 2/20 0.41
MEN1 O00255 1/20 0.41
PKM P14618 1/20 0.41
KMT2A Q03164 1/20 0.41
POLB P06746 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
TP53 P04637 1/20 0.40
HPGD P15428 1/20 0.40
TSHR P16473 1/20 0.40
MAPK1 P28482 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
GPR35 Q9HC97 1/20 0.40

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
SCHEMBL13254536 1.00 CA1 (0.46) CA1PTGS1PTGS2SLC18A3ALDH1A1
SCHEMBL3486370 0.83 CA1 (0.65) CA1PTGS1PTGS2ALDH1A1MAPT
SCHEMBL13254535 0.83 CA1 (0.65) CA1PTGS1PTGS2ALDH1A1MAPT
SCHEMBL30960322 0.83 CA1 (0.65) CA1PTGS1PTGS2ALDH1A1MAPT
SCHEMBL28349885 0.80 MAPT (0.50) CA1ALDH1A1MAPTGAALMNA
SCHEMBL14292325 0.80 MAPT (0.50) CA1ALDH1A1MAPTGAALMNA
SCHEMBL18058719 0.80 MAPT (0.50) CA1ALDH1A1MAPTGAALMNA
SCHEMBL18058718 0.80 MAPT (0.50) CA1ALDH1A1MAPTGAALMNA
SCHEMBL18058720 0.80 MAPT (0.50) CA1ALDH1A1MAPTGAALMNA
SCHEMBL28349881 0.80 MAPT (0.50) CA1ALDH1A1MAPTGAALMNA

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 3 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
WO-2009039181-A2 SULFONAMIDE-BASED ORGANOCATALYSTS AND METHOD FOR THEIR USE STATE OF OREGON ACTING BY & THROUGH THE STATE BOARD OF HIGHER EDUCATION ON BEHALF OF OR. STATE UNIV. (US) 2009-03-26 WO 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 CA1 1253/4885PTGS1 709/4885PTGS2 780/4885

“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.