SCHEMBL3486040

SCHEMBL3486040

O=C1CCCCC1C(O)c1ccc(Cl)cc1Cl

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 1/20 0.47
MAPT P10636 2/20 0.44
KDM4E B2RXH2 1/20 0.43
HPGD P15428 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
CNR1 P21554 9/20 0.40
CNR2 P34972 7/20 0.40
CA1 P00915 2/20 0.40
SLC6A3 Q01959 1/20 0.39
MEN1 O00255 1/20 0.39
PKM P14618 1/20 0.39
KMT2A Q03164 1/20 0.39
PTGS1 P23219 1/20 0.39
PTGS2 P35354 1/20 0.39
RAB9A P51151 1/20 0.39
P2RX7 Q99572 1/20 0.38

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
SCHEMBL3486328 0.82 CA1 (0.51) NPSR1MAPTKDM4EHPGDSMN1; SMN2
SCHEMBL13254537 0.82 CA1 (0.51) NPSR1MAPTKDM4EHPGDSMN1; SMN2
SCHEMBL3486723 0.79 MAPT (0.55) NPSR1MAPTKDM4EHPGDSMN1; SMN2
SCHEMBL13254538 0.79 MAPT (0.55) NPSR1MAPTKDM4EHPGDSMN1; SMN2
SCHEMBL13254458 0.78 MAPT (0.54) MAPTKDM4EHPGDSMN1; SMN2CA1
SCHEMBL13254459 0.78 MAPT (0.54) MAPTKDM4EHPGDSMN1; SMN2CA1
SCHEMBL3486103 0.78 MAPT (0.54) MAPTKDM4EHPGDSMN1; SMN2CA1
SCHEMBL2993417 0.75 NPSR1 (0.45) NPSR1CNR1CNR2SLC6A3P2RX7
SCHEMBL11791408 0.75 NPSR1 (0.43) NPSR1MAPTHPGDCNR1CNR2
SCHEMBL13254541 0.75 CA1 (0.59) NPSR1MAPTKDM4EHPGDSMN1; SMN2

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 NPSR1 423/4885MAPT 3451/4885KDM4E 3481/4885

“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.