SCHEMBL8271252

SCHEMBL8271252

O=C(CCCCC[C@H](NC(=O)Nc1ccc(OC(F)(F)F)cc1)C(=O)Nc1ccccc1)NO

nearest known ligand 0.56

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ FPR2 P25090 1/20 0.56
▸ HDAC2 Q92769 14/20 0.54
▸ HDAC1 Q13547 8/20 0.54
▸ HDAC8 Q9BY41 7/20 0.54
▸ HDAC3 O15379 6/20 0.54
▸ HDAC10 Q969S8 6/20 0.54
▸ HDAC11 Q96DB2 6/20 0.54
▸ HDAC6 Q9UBN7 6/20 0.54
▸ NCOR2 Q9Y618 5/20 0.54
▸ HDAC4 P56524 1/20 0.49
▸ HDAC7 Q8WUI4 1/20 0.49
▸ HDAC9 Q9UKV0 1/20 0.49
▸ HDAC5 Q9UQL6 1/20 0.49

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
SCHEMBL27659483 0.92 FPR2 (0.56) FPR2HDAC2HDAC1HDAC8HDAC3
SCHEMBL13288515 0.88 HDAC2 (0.63) HDAC2HDAC1HDAC8HDAC3HDAC10
SCHEMBL8271583 0.87 HDAC2 (0.68) HDAC2HDAC1HDAC8HDAC3HDAC10
SCHEMBL8270619 0.87 HDAC8 (0.57) FPR2HDAC2HDAC1HDAC8HDAC3
SCHEMBL8272312 0.87 HDAC2 (0.64) FPR2HDAC2HDAC1HDAC8HDAC3
SCHEMBL13288519 0.85 HDAC1 (0.64) HDAC2HDAC1HDAC8HDAC3HDAC10
SCHEMBL13288500 0.84 HDAC2 (0.61) FPR2HDAC2HDAC1HDAC8HDAC3
SCHEMBL8269734 0.83 HDAC2 (0.57) HDAC2HDAC1HDAC8HDAC3HDAC10
SCHEMBL13288499 0.82 HDAC1 (0.64) HDAC2HDAC1HDAC8HDAC3HDAC10
SCHEMBL8270608 0.82 HDAC2 (0.58) HDAC2HDAC1HDAC8HDAC3HDAC10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7737184-B2 Histone deacetylase inhibitors MERCK SHARP & DOHME CORP. (US) 2010-06-15 — — US disclosed
US-7737184-B2 Histone deacetylase inhibitors MERCK SHARP & DOHME CORP. (US) 2010-06-15 — — US disclosed
US-20080033015-A1 Histone Deacetylase Inhibitors MERCK SHARP & DOHME LLC 2008-02-07 — — US disclosed
US-20080033015-A1 Histone Deacetylase Inhibitors MERCK SHARP & DOHME LLC 2008-02-07 — — US disclosed
WO-2006017216-A1 HISTONE DEACETYLASE INHIBITORS MERCK & CO., INC. (US) 2006-02-16 — — WO 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-20080033015-A1 Histone Deacetylase Inhibitors HDAC1, HDAC5, HDAC9 FPR2 2735/4885HDAC2 8/4885HDAC1 1/4885

“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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