SCHEMBL13864797

SCHEMBL13864797

Cc1ccc(S(=O)(=O)N[C@@H](CCCCCC(=O)NO)C(=O)Nc2ccccc2)cc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 1/20 0.58
▸ LMNA P02545 1/20 0.58
▸ HDAC2 Q92769 10/20 0.58
▸ PLAU P00749 3/20 0.54
▸ HPN P05981 3/20 0.54
▸ HDAC1 Q13547 8/20 0.52
▸ HDAC11 Q96DB2 7/20 0.52
▸ HDAC8 Q9BY41 7/20 0.52
▸ HDAC6 Q9UBN7 7/20 0.52
▸ HDAC3 O15379 6/20 0.52
▸ HDAC10 Q969S8 6/20 0.52
▸ NCOR2 Q9Y618 4/20 0.52
▸ HDAC4 P56524 4/20 0.51
▸ HDAC7 Q8WUI4 4/20 0.51
▸ HDAC9 Q9UKV0 4/20 0.51
▸ HDAC5 Q9UQL6 4/20 0.51
▸ KDM4E B2RXH2 1/20 0.51
▸ BRD4 O60885 1/20 0.51
▸ NCOR1 O75376 1/20 0.51
▸ NR1I2 O75469 1/20 0.51

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
SCHEMBL27681821 0.93 ALDH1A1 (0.63) ALDH1A1LMNAHDAC2PLAUHPN
SCHEMBL13864693 0.92 HDAC2 (0.64) HDAC2HDAC1HDAC11HDAC8HDAC6
SCHEMBL13864784 0.91 MMP9 (0.61) HDAC2HDAC1HDAC11HDAC8HDAC6
SCHEMBL13864752 0.90 HDAC2 (0.59) HDAC2HDAC1HDAC11HDAC8HDAC6
SCHEMBL13864811 0.89 HDAC2 (0.58) HDAC2HDAC1HDAC11HDAC8HDAC6
SCHEMBL13864744 0.89 HDAC2 (0.58) HDAC2HDAC1HDAC11HDAC8HDAC6
SCHEMBL13864751 0.89 HDAC2 (0.62) HDAC2HDAC1HDAC11HDAC8HDAC6
SCHEMBL13864720 0.89 HDAC2 (0.55) ALDH1A1HDAC2HDAC1HDAC11HDAC8
SCHEMBL13867750 0.88 HDAC2 (0.56) HDAC2HDAC1HDAC11HDAC8HDAC6
SCHEMBL13864730 0.87 HDAC2 (0.55) HDAC2HDAC1HDAC11HDAC8HDAC6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7534918-B2 Histone deacetylase inhibitors MERCK & CO., INC. (US) 2009-05-19 — — US disclosed
US-7534918-B2 Histone deacetylase inhibitors MERCK & CO., INC. (US) 2009-05-19 — — US disclosed
US-20080015216-A1 Histone Deacetylase Inhibitors MERCK SHARP & DOHME LLC 2008-01-17 — — US disclosed
US-20080015216-A1 Histone Deacetylase Inhibitors MERCK SHARP & DOHME LLC 2008-01-17 — — 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-20080015216-A1 Histone Deacetylase Inhibitors HDAC1, HDAC5, HDAC9 ALDH1A1 1195/4885LMNA 3114/4885HDAC2 4/4885

“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.

Send feedback