SCHEMBL20545181

SCHEMBL20545181

COC(=O)CCCCCS(=O)(=O)c1ccc(F)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.49
ALDH1A1 P00352 1/20 0.49
PAX8 Q06710 1/20 0.49
HDAC1 Q13547 2/20 0.48
HDAC2 Q92769 2/20 0.48
HDAC3 O15379 1/20 0.48
HDAC4 P56524 1/20 0.48
HDAC7 Q8WUI4 1/20 0.48
HDAC10 Q969S8 1/20 0.48
HDAC11 Q96DB2 1/20 0.48
HDAC8 Q9BY41 1/20 0.48
HDAC6 Q9UBN7 1/20 0.48
HDAC9 Q9UKV0 1/20 0.48
HDAC5 Q9UQL6 1/20 0.48
CA12 O43570 1/20 0.47
CA2 P00918 1/20 0.47
CA7 P43166 1/20 0.47
CA9 Q16790 1/20 0.47
CA14 Q9ULX7 1/20 0.47
POLB P06746 2/20 0.45

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
SCHEMBL17045867 0.87 HDAC1 (0.49) KMT2AALDH1A1HDAC1HDAC2HDAC3
SCHEMBL8779427 0.87 ALDH1A1 (0.59) KMT2AALDH1A1PAX8HDAC1HDAC2
SCHEMBL20545500 0.85 HDAC1 (0.66) KMT2AALDH1A1HDAC1HDAC2HDAC3
SCHEMBL4711119 0.81 PSIP1 (0.50) KMT2AALDH1A1HDAC1HDAC2HDAC3
SCHEMBL11452472 0.80 ALDH1A1 (0.62) KMT2AALDH1A1PAX8CA12CA2
SCHEMBL2631178 0.80 ALDH1A1 (0.69) KMT2AALDH1A1HDAC1HDAC2HDAC3
SCHEMBL4713200 0.80 HDAC1 (0.43) KMT2AALDH1A1HDAC1HDAC2HDAC3
SCHEMBL20544598 0.79 HTT (0.65) KMT2AALDH1A1POLBCTDSP1MAPT
SCHEMBL15013716 0.79 ALDH1A1 (0.56) KMT2AALDH1A1PAX8CA2POLB
SCHEMBL6823634 0.78 HDAC1 (0.56) KMT2AALDH1A1HDAC1HDAC2HDAC3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20200207691-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 T 2020-07-02 US disclosed
US-20200207691-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 T 2020-07-02 US disclosed
US-10626071-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) 2020-04-21 US disclosed
US-10626071-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) 2020-04-21 US disclosed
US-10160705-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) 2018-12-25 US disclosed
US-20180312455-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 2018-11-01 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 (4 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-10160705-B2 Class of HDAC inhibitors expands the renal progenitor cells population and improves the rate of recovery from acute kidney injury HDAC1, HDAC9, HDAC11 KMT2A 41/4885ALDH1A1 351/4885PAX8 139/4885
US-10626071-B2 Class of HDAC inhibitors expands the renal progenitor cells population and improves the rate of recovery from acute kidney injury HDAC1, HDAC9, HDAC11 KMT2A 41/4885ALDH1A1 351/4885PAX8 139/4885
US-20180312455-A1 Class of HDAC Inhibitors Expands the Renal Progenitor Cells Population and Improves the Rate of Recovery from Acute Kidney Injury HDAC1, HDAC9, HDAC11 KMT2A 41/4885ALDH1A1 351/4885PAX8 139/4885
US-20200207691-A1 Class of HDAC Inhibitors Expands the Renal Progenitor Cells Population and Improves the Rate of Recovery from Acute Kidney Injury HDAC1, HDAC9, HDAC11 KMT2A 41/4885ALDH1A1 351/4885PAX8 139/4885

“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.