SCHEMBL3621173

SCHEMBL3621173

CC(C)(N)CCC[C@H](NC(=O)OCc1ccccc1)C(=O)O

nearest known ligand 0.55

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SIRT2 Q8IXJ6 1/20 0.55
SIRT1 Q96EB6 1/20 0.55
CTSL P07711 3/20 0.54
CTSS P25774 2/20 0.54
ITGB3 P05106 7/20 0.53
ITGA2B P08514 5/20 0.53
FOLH1 Q04609 2/20 0.53
TGM2 P21980 2/20 0.53
CTSB P07858 1/20 0.52
PPARG P37231 1/20 0.51
PPARA Q07869 1/20 0.51
CTSK P43235 2/20 0.50
ITGAV P06756 2/20 0.50
ECE1 P42892 2/20 0.49
MME P08473 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
SCHEMBL8065343 0.91 SIRT2 (0.56) SIRT2SIRT1CTSLCTSSITGB3
SCHEMBL8387978 0.87 FOLH1 (0.65) SIRT2SIRT1CTSLCTSSITGB3
SCHEMBL10421088 0.87 FOLH1 (0.62) SIRT2SIRT1CTSLCTSSITGB3
SCHEMBL25365812 0.86 CTSL (0.58) SIRT2SIRT1CTSLCTSSITGB3
SCHEMBL25365816 0.86 CTSL (0.58) SIRT2SIRT1CTSLCTSSITGB3
SCHEMBL18762518 0.85 SIRT2 (0.57) SIRT2SIRT1CTSLCTSSITGB3
SCHEMBL15666217 0.85 SIRT2 (0.57) SIRT2SIRT1CTSLCTSSITGB3
SCHEMBL15666216 0.85 SIRT2 (0.57) SIRT2SIRT1CTSLCTSSITGB3
SCHEMBL11332452 0.84 CTSL (0.72) SIRT2SIRT1CTSLCTSSFOLH1
SCHEMBL4126228 0.84 CTSL (0.72) SIRT2SIRT1CTSLCTSSFOLH1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2203420-A1 HIV PROTEASE INHIBITORS Merck Sharp & Dohme Corp. (US) 2010-07-07 EP disclosed
US-20100093811-A1 HIV PROTEASE INHIBITORS MERCK SHARP & DOHME CORP. 2010-04-15 US disclosed
WO-2009042093-A1 HIV PROTEASE INHIBITORS MERCK & CO., INC. (US) 2009-04-02 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-20100093811-A1 HIV PROTEASE INHIBITORS PRSS1, FURIN, SERPINB1 SIRT2 1673/4885SIRT1 474/4885CTSL 31/4885

“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.