SCHEMBL5509552

SCHEMBL5509552

COC(=O)C(c1ccsc1)C(C)C

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 1/20 0.49
KMT2A Q03164 2/20 0.46
CHRNB2 P17787 1/20 0.41
CHRNB4 P30926 1/20 0.41
CHRNA3 P32297 1/20 0.41
CHRNA4 P43681 1/20 0.41
TAS1R3 Q7RTX0 1/20 0.40
TAS1R1 Q7RTX1 1/20 0.40
HSD17B10 Q99714 3/20 0.38
TSHR P16473 1/20 0.38
HPGD P15428 2/20 0.37
KDM4E B2RXH2 2/20 0.37
ALDH1A1 P00352 2/20 0.37
GLA P06280 1/20 0.37
GAA P10253 1/20 0.37
CASP1 P29466 1/20 0.37
CASP7 P55210 1/20 0.37
LMNA P02545 1/20 0.37
IDO1 P14902 1/20 0.37
TDO2 P48775 1/20 0.37

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
SCHEMBL5542458 0.82 HPGD (0.48) ALOX5KMT2ACHRNB2CHRNB4CHRNA3
SCHEMBL8167057 0.81 ALOX5 (0.46) ALOX5KMT2ACHRNB2CHRNB4CHRNA3
SCHEMBL5511566 0.80 ALOX5 (0.49) ALOX5CHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL5179018 0.80 ALDH1A1 (0.45) ALOX5KMT2ACHRNB2CHRNB4CHRNA3
SCHEMBL26450909 0.80 ALOX5 (0.49) ALOX5KMT2ACHRNB2CHRNB4CHRNA3
Hydrochloric Acid SCHEMBL8167055 0.79 ALOX5 (0.45) ALOX5KMT2ACHRNB2CHRNB4CHRNA3
SCHEMBL9328003 0.79 ALOX5 (0.47) ALOX5KMT2ACHRNB2CHRNB4CHRNA3
SCHEMBL28791935 0.79 ALOX5 (0.47) ALOX5KMT2ACHRNB2CHRNB4CHRNA3
SCHEMBL5129994 0.77 ALOX5 (0.42) ALOX5KMT2ACHRNB2CHRNB4CHRNA3
SCHEMBL16472964 0.77 ALOX5 (0.43) ALOX5KMT2ACHRNB2CHRNB4CHRNA3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230133671-A1 SETD2 INHIBITORS AND RELATED METHODS AND USES, INCLUDING COMBINATION THERAPIES Epizyme, Inc. (US) 2023-05-04 US disclosed
WO-2022261243-A1 COMBINATION THERAPIES WITH SETD2 INHIBITORS Epizyme, Inc. (US) 2022-12-15 WO disclosed
US-8367666-B2 3-carbamoyl-2-pyridone derivatives SHIONOGI & CO., LTD. (JP) 2013-02-05 US disclosed
US-8367666-B2 3-carbamoyl-2-pyridone derivatives SHIONOGI & CO., LTD. (JP) 2013-02-05 US disclosed
US-8178681-B2 methyl 3-methyl-2-{[2-oxo-1-(2-oxo-ethyl)-1,2,5,6,7,8,9,10-octahydro-cycloocta[b]pyridine-3-carbonyl]-amino}-butyrate; cannabinoid receptor agonist; antiinflammatory agent, immunostimulant, analgesic; atopic dermatitis; excellent in photostability, and have excellent transdermal and oral absorbency SHIONOGI & CO., LTD. (JP) 2012-05-15 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-20230133671-A1 SETD2 INHIBITORS AND RELATED METHODS AND USES, INCLUDING COMBINATION THERAPIES EZH2, HDAC2, SETD2 ALOX5 3976/4885KMT2A 52/4885CHRNB2 2931/4885

“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.