SCHEMBL3315212

SCHEMBL3315212

C[C@@H](NC(=O)OCc1ccccc1)C(O)=S

nearest known ligand 0.59

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CTSK P43235 5/20 0.59
CTSS P25774 5/20 0.59
CTSL P07711 4/20 0.59
CTSB P07858 2/20 0.59
ATM Q13315 1/20 0.58
MEN1 O00255 1/20 0.56
LMNA P02545 1/20 0.56
KMT2A Q03164 1/20 0.56
CTRB1 P17538 2/20 0.55
ELANE P08246 1/20 0.54
OPRK1 P41145 1/20 0.52
CYP1A2 P05177 1/20 0.52

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
SCHEMBL12590839 0.88 CTSK (0.56) CTSKCTSSCTSLCTSBATM
SCHEMBL13199728 0.88 CTSK (0.56) CTSKCTSSCTSLCTSBATM
SCHEMBL29504873 0.88 CTSK (0.56) CTSKCTSSCTSLCTSBATM
SCHEMBL15080869 0.87 CTSK (0.61) CTSKCTSSCTSLCTSBATM
SCHEMBL241564 0.87 CTSK (0.61) CTSKCTSSCTSLCTSBATM
SCHEMBL856196 0.87 CTSK (0.61) CTSKCTSSCTSLCTSBATM
SCHEMBL241565 0.87 CTSK (0.61) CTSKCTSSCTSLCTSBATM
SCHEMBL30946598 0.87 CTSK (0.61) CTSKCTSSCTSLCTSBATM
SCHEMBL6440649 0.86 CTSK (0.60) CTSKCTSSCTSLCTSBATM
Hydrochloric Acid SCHEMBL7400995 0.86 CTSK (0.60) CTSKCTSSCTSLCTSBATM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100105654-A1 SUBSTITUTED QUINAZOLINONE COMPOUNDS NOVARTIS VACCINES AND DIAGNOSTICS, INC. 2010-04-29 US disclosed
US-7625909-B2 Substituted quinazolinone compounds NOVARTIS VACCINES AND DIAGNOSTICS, INC. (US) 2009-12-01 US disclosed
EP-1686996-A4 QUINAZOLINONE COMPOUNDS WITH REDUCED BIOACCUMULATION NOVARTIS VACCINES & DIAGNOSTIC (US) 2008-11-12 EP disclosed
EP-1686996-A1 QUINAZOLINONE COMPOUNDS WITH REDUCED BIOACCUMULATION CHIRON CORPORATION (US) 2006-08-09 EP disclosed
EP-1651229-A1 GUANIDINO-SUBSTITUTED QUINAZOLINONE COMPOUNDS AS MC4-R AGONISTS Chiron Corporation (US) 2006-05-03 EP disclosed
WO-2005051391-A1 QUINAZOLINONE COMPOUNDS WITH REDUCED BIOACCUMULATION CHIRON CORPORATION (US) 2005-06-09 WO disclosed
US-20050059662-A1 Substituted quinazolinone compounds CHIRON CORPORATION 2005-03-17 US disclosed
WO-2004112793-A1 GUANIDINO-SUBSTITUTED QUINAZOLINONE COMPOUNDS AS MC4-R AGONISTS CHIRON CORPORATION (US) 2004-12-29 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 (2 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-20050059662-A1 Substituted quinazolinone compounds MC4R, MC2R, MC3R CTSK 2020/4885CTSS 2449/4885CTSL 2794/4885
US-20100105654-A1 SUBSTITUTED QUINAZOLINONE COMPOUNDS MC4R, MC5R, MC2R CTSK 2217/4885CTSS 2705/4885CTSL 3347/4885

“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.