SCHEMBL5111011

SCHEMBL5111011

OCc1ccsc1-c1ccccc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.57
ALOX15 P16050 1/20 0.57
MAPK1 P28482 1/20 0.57
KMT2A Q03164 1/20 0.57
PDCD1 Q15116 1/20 0.41
CD274 Q9NZQ7 1/20 0.41
PTGS2 P35354 1/20 0.41
PTGS1 P23219 1/20 0.40
CYP2A6 P11509 1/20 0.39
BCAT2 O15382 1/20 0.39
PDPK1 O15530 1/20 0.36
KDM4E B2RXH2 2/20 0.36
USP2 O75604 1/20 0.36
ALDH1A1 P00352 1/20 0.36
MAPT P10636 1/20 0.36
HPGD P15428 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
HSD17B10 Q99714 1/20 0.36
TSHR P16473 1/20 0.36
NOTUM Q6P988 2/20 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
SCHEMBL1408548 0.84 TP53 (0.54) TP53ALOX15MAPK1KMT2APTGS2
SCHEMBL4963879 0.80 TP53 (0.39) TP53ALOX15MAPK1KMT2APTGS1
SCHEMBL7386191 0.79 KMT2A (0.53) TP53ALOX15MAPK1KMT2APTGS2
SCHEMBL27659211 0.79 TP53 (0.53) TP53ALOX15MAPK1KMT2APTGS2
SCHEMBL1520751 0.79 KMT2A (0.71) TP53ALOX15MAPK1KMT2APTGS1
SCHEMBL16049288 0.77 PTGS1 (0.46) TP53ALOX15MAPK1KMT2APTGS2
SCHEMBL3842100 0.76 KMT2A (0.38) TP53ALOX15MAPK1KMT2APTGS1
SCHEMBL901920 0.76 KMT2A (0.50) TP53ALOX15MAPK1KMT2APTGS2
SCHEMBL6629470 0.76 TP53 (0.67) TP53ALOX15MAPK1KMT2APTGS2
SCHEMBL20656177 0.75 CYP2A6 (0.39) TP53ALOX15MAPK1KMT2APDCD1

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
WO-2019011826-A1 RING CLOSURE REACTION MERCK PATENT GMBH (DE) 2019-01-17 WO disclosed
US-7342116-B2 Process for producing heterocyclic aldehyde KOEI CHEMICAL CO., LTD. (JP) 2008-03-11 US disclosed
US-20050124807-A1 oxidation of a hetero alcohol in presence od an 2,2,6,6-teraalkylpiperidin-1-oxy comound KOEI CHEMICAL CO., LTD. (JP) 2005-06-09 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-20050124807-A1 oxidation of a hetero alcohol in presence od an 2,2,6,6-teraalkylpiperidin-1-oxy comound ADH1C, ADH1A, AOX1 TP53 4768/4885ALOX15 128/4885MAPK1 1482/4885

“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.