SCHEMBL18922450

SCHEMBL18922450

CC(=O)CCCCCSc1ccccc1O

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PTGS2 P35354 10/20 0.52
▸ EPHX2 P34913 1/20 0.52
▸ CYSLTR2 Q9NS75 1/20 0.43
▸ CYSLTR1 Q9Y271 1/20 0.43
▸ HDAC1 Q13547 3/20 0.42
▸ HDAC2 Q92769 3/20 0.42
▸ HDAC3 O15379 2/20 0.42
▸ HDAC4 P56524 2/20 0.42
▸ HDAC7 Q8WUI4 2/20 0.42
▸ HDAC10 Q969S8 2/20 0.42
▸ HDAC11 Q96DB2 2/20 0.42
▸ HDAC8 Q9BY41 2/20 0.42
▸ HDAC6 Q9UBN7 2/20 0.42
▸ HDAC9 Q9UKV0 2/20 0.42
▸ HDAC5 Q9UQL6 2/20 0.42
▸ MTNR1A P48039 1/20 0.39
▸ MTNR1B P49286 1/20 0.39
▸ IAPP P10997 1/20 0.39
▸ ALDH1A1 P00352 2/20 0.38
▸ MEN1 O00255 1/20 0.38

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
SCHEMBL4268351 0.85 PTGS2 (0.61) PTGS2EPHX2CYSLTR2CYSLTR1HDAC1
SCHEMBL4403312 0.85 PTGS2 (0.61) PTGS2EPHX2CYSLTR2CYSLTR1HDAC1
SCHEMBL31359159 0.84 EPHX2 (0.52) PTGS2EPHX2CYSLTR2CYSLTR1HDAC1
SCHEMBL17045927 0.83 EPHX2 (0.52) PTGS2EPHX2HDAC1HDAC2HDAC3
SCHEMBL5313693 0.80 EPHX2 (0.64) PTGS2EPHX2CYSLTR2CYSLTR1ALDH1A1
SCHEMBL22444760 0.80 EPHX2 (0.64) PTGS2EPHX2CYSLTR2CYSLTR1ALDH1A1
SCHEMBL19066580 0.80 EPHX2 (0.64) PTGS2EPHX2CYSLTR2CYSLTR1ALDH1A1
SCHEMBL9447706 0.80 EPHX2 (0.64) PTGS2EPHX2CYSLTR2CYSLTR1ALDH1A1
SCHEMBL13668910 0.78 MTNR1A (0.61) PTGS2MTNR1AMTNR1BALDH1A1
SCHEMBL417360 0.78 ALDH1A1 (0.62) PTGS2EPHX2CYSLTR2CYSLTR1HDAC1

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-20170320898-A1 Class of HDAC Inhibitors Expands the Renal Progenitor Cells Population and Improves the Rate of Recovery from Acute Kidney Injury UNIVERSITY OF PITTSBURGH - OF THE COMMONWEALTH SYSTEM OF HIGHER EDUCATION 2017-11-09 — — US disclosed
US-9670236-B2 Class of HDAC inhibitors expands the renal progenitor cells population and improves the rate of recovery from acute kidney injury University of Pittsburgh—of the Commonwealth System of Higher Education (US) 2017-06-06 — — 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-20170320898-A1 Class of HDAC Inhibitors Expands the Renal Progenitor Cells Population and Improves the Rate of Recovery from Acute Kidney Injury HDAC1, HDAC9, HDAC11 PTGS2 1823/4885EPHX2 1648/4885CYSLTR2 4098/4885

“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.

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