SCHEMBL3316625

SCHEMBL3316625

CC(C)C(O)c1ccnn1-c1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.47
CYP2C9 P11712 8/20 0.39
CYP2C18 P33260 4/20 0.39
CYP2C8 P10632 3/20 0.39
ALDH1A1 P00352 2/20 0.38
GAA P10253 1/20 0.38
COMT P21964 1/20 0.37
CYP2C19 P33261 4/20 0.36
NPC1 O15118 1/20 0.36
LMNA P02545 1/20 0.36
TP53 P04637 1/20 0.36
HPGD P15428 1/20 0.36
TSHR P16473 1/20 0.36
RAB9A P51151 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
HSD17B10 Q99714 1/20 0.36
MDM2 Q00987 1/20 0.36
MAPK1 P28482 2/20 0.36
CYP1A2 P05177 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36

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
SCHEMBL3320565 0.86 ALDH1A1 (0.38) POLBCYP2C9CYP2C18ALDH1A1CYP2C19
SCHEMBL3316667 0.85 POLB (0.50) POLBCYP2C9CYP2C18CYP2C8ALDH1A1
SCHEMBL3319315 0.85 NR3C1 (0.38) ALDH1A1TP53MAPK14
SCHEMBL3319167 0.84 ALDH1A1 (0.44) ALDH1A1NPC1LMNATP53HPGD
SCHEMBL3319046 0.81 POLB (0.43) POLBCYP2C9CYP2C18CYP2C8ALDH1A1
SCHEMBL4547931 0.81 POLB (0.53) POLBCYP2C9CYP2C18CYP2C8ALDH1A1
SCHEMBL14793221 0.76 POLB (0.48) POLBCYP2C9CYP2C18CYP2C8ALDH1A1
SCHEMBL7041523 0.75 POLB (0.47) POLBCYP2C9ALDH1A1GAALMNA
SCHEMBL15199512 0.73 ALDH1A1 (0.35) POLBALDH1A1COMTCYP2C19NPC1
SCHEMBL28722867 0.72 CYP2C9 (0.43) POLBCYP2C9CYP2C18CYP2C8ALDH1A1

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-20100144812-A1 Heterocyclic Sulfonamide Inhibitors of Beta Amyloid Production Containing an Azole WYETH LLP (US) 2010-06-10 US disclosed
US-7674813-B2 Heterocyclic sulfonamide inhibitors of beta amyloid production containing an azole WYETH (US) 2010-03-09 US disclosed
EP-1709003-B1 HETEROCYCLIC SULFONAMIDE INHIBITORS OF BETA AMYLOID PRODUCTION CONTAINING AN AZOLE WYETH CORP (US) 2009-09-23 EP disclosed
US-20080249150-A1 HETEROCYCLIC SULFONAMIDE INHIBITORS OF BETA AMYLOID PRODUCTION CONTAINING AN AZOLE WYETH (US) 2008-10-09 US disclosed
US-7399778-B2 Heterocyclic sulfonamide inhibitors of beta amyloid production containing an azole WYETH (US) 2008-07-15 US disclosed
EP-1709003-A1 HETEROCYCLIC SULFONAMIDE INHIBITORS OF BETA AMYLOID PRODUCTION CONTAINING AN AZOLE Wyeth (US) 2006-10-11 EP disclosed
WO-2005073198-A1 HETEROCYCLIC SULFONAMIDE INHIBITORS OF BETA AMYLOID PRODUCTION CONTAINING AN AZOLE WYETH (US) 2005-08-11 WO disclosed
US-20050171180-A1 Heterocyclic sulfonamide inhibtors of beta amyloid production containing an azole WYETH (US) 2005-08-04 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 (3 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-20100144812-A1 Heterocyclic Sulfonamide Inhibitors of Beta Amyloid Production Containing an Azole APP, IAPP, PARK7 POLB 4143/4885CYP2C9 726/4885CYP2C18 1381/4885
US-20080249150-A1 HETEROCYCLIC SULFONAMIDE INHIBITORS OF BETA AMYLOID PRODUCTION CONTAINING AN AZOLE APP, IAPP, PARK7 POLB 4143/4885CYP2C9 726/4885CYP2C18 1381/4885
US-20050171180-A1 Heterocyclic sulfonamide inhibtors of beta amyloid production containing an azole IAPP, APP, CBR3 POLB 4385/4885CYP2C9 487/4885CYP2C18 1342/4885

“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.