SCHEMBL22145756

SCHEMBL22145756

CC(C)(C)OC(=O)CSCCCl

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 1/20 0.36
HDAC1 Q13547 1/20 0.36
HDAC2 Q92769 1/20 0.36
HDAC8 Q9BY41 1/20 0.36
HDAC6 Q9UBN7 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
HTT P42858 1/20 0.36
CCNB2 O95067 1/20 0.33
CCNE2 O96020 1/20 0.33
CDK1 P06493 1/20 0.33
CDK4 P11802 1/20 0.33
CCNB1 P14635 1/20 0.33
CCND1 P24385 1/20 0.33
CCNE1 P24864 1/20 0.33
CDK2 P24941 1/20 0.33
CCNB3 Q8WWL7 1/20 0.33
ALDH1A1 P00352 1/20 0.31
GLA P06280 1/20 0.31

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
SCHEMBL882496 0.82 TDP1 (0.39) HDAC3HDAC1HDAC2HDAC8HDAC6
SCHEMBL23768567 0.82 CYP2C9 (0.40) HDAC3HDAC1HDAC2HDAC8HDAC6
SCHEMBL12234191 0.78 HDAC3 (0.35) HDAC3HDAC1HDAC2HDAC8HDAC6
SCHEMBL20087381 0.78 TDP1 (0.44) HDAC3HDAC1HDAC2HDAC8HDAC6
SCHEMBL4202803 0.77 TSHR (0.43) HDAC3HDAC1HDAC2HDAC8HDAC6
SCHEMBL26337010 0.77 CES1 (0.34) HDAC3HDAC1HDAC2HDAC8HDAC6
SCHEMBL13062086 0.77 HDAC3 (0.37) HDAC3HDAC1HDAC2HDAC8HDAC6
SCHEMBL9784216 0.77 CYP1A2 (0.41) HDAC3HDAC1HDAC2HDAC8HDAC6
SCHEMBL1845681 0.75 HTT (0.41) HDAC3HDAC1HDAC2HDAC8HDAC6
SCHEMBL12234263 0.74 TSHR (0.34) HDAC3HDAC1HDAC2HDAC8HDAC6

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-20210285955-A1 METHODS AND REAGENTS FOR ANALYZING PROTEIN-PROTEIN INTERFACES WARP DRIVE BIO, INC. 2021-09-16 US disclosed
US-20200199102-A1 COMPOUNDS THAT PARTICIPATE IN COOPERATIVE BINDING AND USES THEREOF Revolution Medicines, Inc. 2020-06-25 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 (2 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-20210285955-A1 METHODS AND REAGENTS FOR ANALYZING PROTEIN-PROTEIN INTERFACES FKBP8, PIN1, FKBP1A HDAC3 3255/4885HDAC1 1846/4885HDAC2 2454/4885
US-20200199102-A1 COMPOUNDS THAT PARTICIPATE IN COOPERATIVE BINDING AND USES THEREOF PIN1, FKBP14, FKBP2 HDAC3 1907/4885HDAC1 658/4885HDAC2 1496/4885

“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.