SCHEMBL5359283

SCHEMBL5359283

COCOC(CN(C)S(=O)(=O)c1cc(C(O)Cc2ccccc2)sc1NC(=O)OC(C)(C)C)c1ccc(F)cc1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 5/20 0.34
ATM Q13315 2/20 0.33
P2RX7 Q99572 1/20 0.33
JAK2 O60674 1/20 0.33
ALDH1A1 P00352 1/20 0.33
TP53 P04637 1/20 0.33
HPGD P15428 1/20 0.33
MAPK1 P28482 1/20 0.33
HTT P42858 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
HSD17B10 Q99714 1/20 0.33
KLK5 Q9Y337 1/20 0.33
BACE2 Q9Y5Z0 2/20 0.32
CTSS P25774 1/20 0.32
CTSK P43235 1/20 0.32
CCR5 P51681 1/20 0.32
PABPC1 P11940 1/20 0.31
ADRB3 P13945 1/20 0.31
RORC P51449 1/20 0.31
CYP3A4 P08684 1/20 0.31

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
SCHEMBL5352919 0.87 CCR5 (0.32) BACE1ATMP2RX7JAK2ALDH1A1
SCHEMBL5359290 0.86 CYP3A4 (0.34) BACE1ATMP2RX7JAK2ALDH1A1
SCHEMBL5358149 0.83 RORC (0.33) CCR5RORC
SCHEMBL5348107 0.82 TP53 (0.31) TP53RORC
SCHEMBL5358758 0.81 MAPT (0.36) ALDH1A1CTSSCTSKCCR5RORC
SCHEMBL5353058 0.74 AOC3 (0.36) TP53CCR5RORCKMT2A
SCHEMBL5350418 0.74 AOC3 (0.35) TP53CCR5RORC
SCHEMBL5366844 0.71 AOC3 (0.33) CCR5RORC
SCHEMBL5348143 0.71 AOC3 (0.33) CCR5RORC
SCHEMBL5348137 0.71 AOC3 (0.33) CCR5RORC

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-2007114672-A1 AGENT FOR THE PREVENTION AND TREATMENT OF METABOLIC BONE DISEASE BY ENHANCING OSTEOPROTEGERIN SECRETION OSCOTEC INC. (KR) 2007-10-11 WO disclosed
US-7217723-B2 Substituted benzothiophenes, e.g., 7Z)-7-hydroxyimino-4,5,6,7-tetrahydro-benzo[b]thiophene-3-sulfonic acid [2-(4-fluorophenyl)-2-hydroxyethyl]-methyl-amide; treating allergies such as atopic dermatitis, allergic coryza, bronchial asthma, hypersensitive pneumoniac and pulmonary aspergillosis. EISAI CO., LTD. (JP) 2007-05-15 US disclosed
US-20050227959-A1 Heterocyclic compound having oxime group EISAI CO., LTD. (JP) 2005-10-13 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-20050227959-A1 Heterocyclic compound having oxime group STAT6, HRH4, HRH2 BACE1 3364/4885ATM 2347/4885P2RX7 2015/4885

“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.