SCHEMBL3487030

SCHEMBL3487030

O=C1CCCCC1C(O)c1ccncc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.51
CYP19A1 P11511 3/20 0.42
CA1 P00915 3/20 0.42
KDM4E B2RXH2 3/20 0.38
HPGD P15428 2/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
LMNA P02545 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
ALDH1A1 P00352 5/20 0.37
CYP11B2 P19099 2/20 0.37
NPC1 O15118 1/20 0.37
TP53 P04637 1/20 0.37
RAB9A P51151 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
POLB P06746 2/20 0.36
CYP11B1 P15538 1/20 0.36
CYP3A4 P08684 1/20 0.36
GAA P10253 1/20 0.36
CYP2C19 P33261 1/20 0.36
MAPK1 P28482 1/20 0.35

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
SCHEMBL13254540 1.00 MAPT (0.51) MAPTCYP19A1CA1KDM4EHPGD
SCHEMBL4754008 0.83 MAPT (0.61) MAPTCA1KDM4EHPGDSMN1; SMN2
SCHEMBL3487513 0.83 MAPT (0.61) MAPTCA1KDM4EHPGDSMN1; SMN2
SCHEMBL7053572 0.83 MAPT (0.61) MAPTCA1KDM4EHPGDSMN1; SMN2
SCHEMBL14292320 0.83 MAPT (0.61) MAPTCA1KDM4EHPGDSMN1; SMN2
SCHEMBL7055028 0.83 MAPT (0.61) MAPTCA1KDM4EHPGDSMN1; SMN2
SCHEMBL4754009 0.83 MAPT (0.61) MAPTCA1KDM4EHPGDSMN1; SMN2
SCHEMBL11790195 0.82 MAPT (0.60) MAPTCA1KDM4EHPGDSMN1; SMN2
SCHEMBL13254538 0.81 MAPT (0.55) MAPTCA1KDM4EHPGDSMN1; SMN2
SCHEMBL3486723 0.81 MAPT (0.55) MAPTCA1KDM4EHPGDSMN1; 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 MAPT 3451/4885CYP19A1 263/4885CA1 1253/4885

“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.