Sugi Predict

Sugi Predict / Compounds / SCHEMBL2899982

SCHEMBL2899982

SCHEMBL2899982

O=C(NO)c1ccc(NC(=O)C(Cc2ccc(-c3ccccc3)cc2)NC(=O)c2ccccc2)cc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HDAC8 Q9BY41 7/20 0.61
▸ HDAC3 O15379 6/20 0.61
▸ HDAC4 P56524 6/20 0.61
▸ HDAC1 Q13547 6/20 0.61
▸ HDAC7 Q8WUI4 6/20 0.61
▸ HDAC2 Q92769 6/20 0.61
▸ HDAC10 Q969S8 6/20 0.61
▸ HDAC11 Q96DB2 6/20 0.61
▸ HDAC6 Q9UBN7 6/20 0.61
▸ HDAC9 Q9UKV0 6/20 0.61
▸ HDAC5 Q9UQL6 6/20 0.61
▸ USP30 Q70CQ3 3/20 0.60
▸ CTSS P25774 3/20 0.57
▸ CTSK P43235 3/20 0.57
▸ CTSB P07858 2/20 0.57
▸ L3MBTL1 Q9Y468 1/20 0.57
▸ CYP1A2 P05177 1/20 0.55
▸ CYP3A4 P08684 1/20 0.55
▸ CYP2D6 P10635 1/20 0.55
▸ CYP2C9 P11712 1/20 0.55

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
SCHEMBL2899984 1.00 HDAC8 (0.61) HDAC8HDAC3HDAC4HDAC1HDAC7
SCHEMBL2905625 0.94 HDAC8 (0.62) HDAC8HDAC3HDAC4HDAC1HDAC7
SCHEMBL2905629 0.94 HDAC8 (0.62) HDAC8HDAC3HDAC4HDAC1HDAC7
SCHEMBL2903018 0.92 CTSL (0.61) HDAC8HDAC3HDAC4HDAC1HDAC7
SCHEMBL2903012 0.92 CTSL (0.61) HDAC8HDAC3HDAC4HDAC1HDAC7
SCHEMBL21422355 0.88 HDAC8 (0.80) HDAC8HDAC3HDAC4HDAC1HDAC7
SCHEMBL2905549 0.87 CTSL (0.60) HDAC8HDAC3HDAC4HDAC1HDAC7
SCHEMBL2905546 0.87 CTSL (0.60) HDAC8HDAC3HDAC4HDAC1HDAC7
SCHEMBL1554664 0.86 CTSL (0.60) HDAC8HDAC3HDAC4HDAC1HDAC7
SCHEMBL1554667 0.86 CTSL (0.60) HDAC8HDAC3HDAC4HDAC1HDAC7

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
EP-1763507-B1 ALPHA-AMINO ACID DERIVATES WITH ANTIINFLAMMATORY ACTIVITY ITALFARMACO SPA (IT) 2010-08-11 — — EP claimed
US-7635788-B2 Alpha-amino acid derivatives with antiinflammatory activity ITALFARMACO SPA (IT) 2009-12-22 — — US claimed
US-20080076807-A1 Alpha-Amino Acid Derivatives with Antiinflammatory Activity ITALFARMACO SPA (IT) 2008-03-27 — — US claimed
EP-1763507-B1 ALPHA-AMINO ACID DERIVATES WITH ANTIINFLAMMATORY ACTIVITY ITALFARMACO SPA (IT) 2010-08-11 — — EP disclosed
US-7635788-B2 Alpha-amino acid derivatives with antiinflammatory activity ITALFARMACO SPA (IT) 2009-12-22 — — US disclosed
US-20080076807-A1 Alpha-Amino Acid Derivatives with Antiinflammatory Activity ITALFARMACO SPA (IT) 2008-03-27 — — 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-20080076807-A1 Alpha-Amino Acid Derivatives with Antiinflammatory Activity TNF, NFKBIA, IFNG HDAC8 4356/4885HDAC3 4638/4885HDAC4 4325/4885

“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.