SCHEMBL21024477

SCHEMBL21024477

CC(C)(C)OC(=O)NC(CO)C(=O)Nc1ccccc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC8 Q9BY41 2/20 0.59
HDAC4 P56524 3/20 0.57
HDAC1 Q13547 3/20 0.57
HDAC3 O15379 1/20 0.55
HDAC7 Q8WUI4 1/20 0.55
HDAC2 Q92769 1/20 0.55
HDAC10 Q969S8 1/20 0.55
HDAC11 Q96DB2 1/20 0.55
HDAC6 Q9UBN7 1/20 0.55
HDAC9 Q9UKV0 1/20 0.55
HDAC5 Q9UQL6 1/20 0.55
CTSS P25774 8/20 0.52
CTSK P43235 7/20 0.52
CTSL P07711 1/20 0.52
CTSB P07858 1/20 0.52
SCN9A Q15858 1/20 0.50
PPARA Q07869 2/20 0.48
PPARG P37231 1/20 0.48
SIRT5 Q9NXA8 1/20 0.48
ACE P12821 1/20 0.47

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
SCHEMBL27613652 0.89 HDAC4 (0.61) HDAC8HDAC4HDAC1HDAC3HDAC7
SCHEMBL8699255 0.89 HDAC8 (0.59) HDAC8HDAC4HDAC1HDAC3HDAC7
SCHEMBL8699259 0.89 HDAC8 (0.59) HDAC8HDAC4HDAC1HDAC3HDAC7
SCHEMBL23188882 0.89 HDAC8 (0.59) HDAC8HDAC4HDAC1HDAC3HDAC7
SCHEMBL13126299 0.88 MEN1 (0.52) HDAC8HDAC4HDAC1HDAC3HDAC7
SCHEMBL30861281 0.87 HDAC4 (0.65) HDAC8HDAC4HDAC1HDAC3HDAC7
SCHEMBL3944495 0.86 HDAC8 (0.72) HDAC8HDAC4HDAC1CTSSCTSK
SCHEMBL9718254 0.86 PPARG (0.48) HDAC8HDAC4HDAC1HDAC3HDAC7
SCHEMBL9610763 0.86 CTSK (0.59) HDAC8HDAC4HDAC1HDAC3HDAC7
SCHEMBL24451416 0.86 HDAC8 (0.57) HDAC8HDAC4HDAC1HDAC3HDAC7

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-20190152974-A1 SUBSTITUTED PTERIDINES USEFUL FOR THE TREATMENT AND PREVENTION OF VIRAL INFECTIONS GILEAD SCIENCES, INC. 2019-05-23 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-20190152974-A1 SUBSTITUTED PTERIDINES USEFUL FOR THE TREATMENT AND PREVENTION OF VIRAL INFECTIONS HCCS, DPYD, HAVCR2 HDAC8 2243/4885HDAC4 1555/4885HDAC1 2257/4885

“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.