SCHEMBL5354587

SCHEMBL5354587

NC(=O)CC(O)COc1ccc(Cl)cc1

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.74
MAPK1 P28482 2/20 0.52
MEN1 O00255 1/20 0.49
KMT2A Q03164 1/20 0.49
KCNH2 Q12809 2/20 0.48
CACNA1G O43497 1/20 0.48
PPARG P37231 1/20 0.48
PPARA Q07869 1/20 0.48
LMNA P02545 4/20 0.47
POLB P06746 1/20 0.47
MAPT P10636 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47
TSHR P16473 2/20 0.47
NPC1 O15118 1/20 0.47
RAB9A P51151 1/20 0.47
TDP1 Q9NUW8 2/20 0.46
ADRB2 P07550 1/20 0.46
ADRB1 P08588 1/20 0.46
CNR1 P21554 1/20 0.46
ADRA1D P25100 1/20 0.46

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
Chlorphenesin Carbamate SCHEMBL2939463 0.85 CYP1A2 (1.00) CYP1A2MAPK1MEN1KMT2AKCNH2
Chlorphenesin Carbamate SCHEMBL34492 0.85 CYP1A2 (1.00) CYP1A2MAPK1MEN1KMT2AKCNH2
Carbamic Acid SCHEMBL34493 0.82 CYP1A2 (0.68) CYP1A2MAPK1MEN1KMT2AKCNH2
SCHEMBL5360069 0.79 CYP1A2 (0.64) CYP1A2MAPK1MEN1KMT2AKCNH2
SCHEMBL8799683 0.79 CYP1A2 (0.63) CYP1A2MAPK1KMT2AKCNH2CACNA1G
SCHEMBL773201 0.79 CYP1A2 (0.63) CYP1A2MAPK1KMT2AKCNH2CACNA1G
SCHEMBL8798100 0.79 CYP1A2 (0.63) CYP1A2MAPK1KMT2AKCNH2CACNA1G
Bicarbonate SCHEMBL10529320 0.78 CYP1A2 (0.62) CYP1A2MAPK1MEN1KMT2AKCNH2
SCHEMBL11140249 0.77 CYP1A2 (0.66) CYP1A2MAPK1MEN1KMT2AKCNH2
SCHEMBL21194 0.77 CYP1A2 (0.60) CYP1A2MAPK1MEN1KMT2AKCNH2

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 CYP1A2 1209/4885MAPK1 755/4885MEN1 3783/4885

“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.