SCHEMBL19601358

SCHEMBL19601358

CC(C)(O)c1ccc(COS(C)(=O)=O)cc1

nearest known ligand 0.45

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.45
CA2 P00918 4/20 0.42
CA9 Q16790 3/20 0.42
CA1 P00915 2/20 0.41
HSD11B1 P28845 1/20 0.38
MEN1 O00255 1/20 0.38
NR4A2 P43354 1/20 0.36
RXRA P19793 1/20 0.36
RXRB P28702 1/20 0.36
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
MITF O75030 1/20 0.36
NR1I2 O75469 1/20 0.35
ESR1 P03372 1/20 0.35
ESR2 Q92731 1/20 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
SCHEMBL17682277 0.83 HSD11B1 (0.49) KMT2AHSD11B1NR1I2
SCHEMBL4952656 0.82 CA2 (0.58) KMT2ACA2CA9CA1NPC1
SCHEMBL22939515 0.81 SHBG (0.52) KMT2ACA2CA9CA1MEN1
SCHEMBL12185159 0.80 CYP4F2 (0.42) KMT2ACA2CA9CA1NR4A2
SCHEMBL8685996 0.80 KMT2A (0.69) KMT2ACA2CA9CA1
SCHEMBL4662063 0.79 CA2 (0.50) KMT2ACA2CA9CA1RXRA
SCHEMBL22211333 0.77 CA2 (0.48) KMT2ACA2CA9CA1
SCHEMBL9343512 0.77 TSHR (0.42) KMT2AMEN1NR4A2RXRARXRB
SCHEMBL19845815 0.77 CA2 (0.52) KMT2ACA2CA9CA1
SCHEMBL9344511 0.77 TSHR (0.42) KMT2AMEN1NR4A2RXRARXRB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170326149-A1 HYDROXYL PURINE COMPOUNDS AND APPLICATIONS THEREOF GUANGDONG ZHONGSHENG PHARMACEUTICAL CO., LTD (CN) 2017-11-16 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-20170326149-A1 HYDROXYL PURINE COMPOUNDS AND APPLICATIONS THEREOF PNP, PDE2A, PDE7A KMT2A 3904/4885CA2 1905/4885CA9 2741/4885

“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.