SCHEMBL3565816

SCHEMBL3565816

CC(C)(C)OC(=O)NCCNC(Cc1ccccc1)C1=COCO1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 1/20 0.43
CTSS P25774 2/20 0.42
CTSL P07711 1/20 0.42
CTSB P07858 1/20 0.42
CTSK P43235 1/20 0.42
ALDH1A1 P00352 5/20 0.41
ATM Q13315 1/20 0.41
LMNA P02545 4/20 0.41
HPGD P15428 4/20 0.41
HTT P42858 4/20 0.41
NPSR1 Q6W5P4 4/20 0.41
PKM P14618 3/20 0.41
XBP1 P17861 2/20 0.41
TSHR P16473 2/20 0.41
HSD17B10 Q99714 2/20 0.41
KMT2A Q03164 2/20 0.41
MEN1 O00255 1/20 0.41
ALOX15 P16050 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
MALT1 Q9UDY8 1/20 0.40

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
SCHEMBL6936727 0.74 KLK5 (0.57) IDO1CTSSCTSLCTSBCTSK
SCHEMBL8497138 0.74 KLK5 (0.57) IDO1CTSSCTSLCTSBCTSK
SCHEMBL7452177 0.74 KLK5 (0.57) IDO1CTSSCTSLCTSBCTSK
SCHEMBL20582604 0.70 CTSS (0.53) IDO1CTSSCTSLCTSBCTSK
SCHEMBL19295599 0.70 CTSK (0.54) IDO1CTSSCTSLCTSBCTSK
SCHEMBL20582603 0.70 CTSS (0.53) IDO1CTSSCTSLCTSBCTSK
SCHEMBL13861677 0.69 ACE (0.59) CTSSCTSLCTSBCTSKATM
SCHEMBL5926274 0.69 CTSS (0.57) IDO1CTSSCTSLCTSBCTSK
SCHEMBL4391737 0.69 ESR1 (0.43) ALDH1A1ATMHSD17B10KMT2AMEN1
SCHEMBL12452003 0.69 IDO1 (0.52) IDO1CTSSCTSLCTSBCTSK

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-7825256-B2 Inducible nitric oxide synthase dimerization inhibitors KALYPSYS, INC. (US) 2010-11-02 US disclosed
EP-1817030-A2 INDUCIBLE NITRIC OXIDE SYNTHASE DIMERIZATION INHIBITORS Kalypsys, Inc. (US) 2007-08-15 EP disclosed
WO-2006060424-A2 INDUCIBLE NITRIC OXIDE SYNTHASE DIMERIZATION INHIBITORS KALYPSYS, INC. (US) 2006-06-08 WO disclosed
US-20060116515-A1 Inducible nitric oxide synthase dimerization inhibitors KALYPSYS, INC. 2006-06-01 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-20060116515-A1 Inducible nitric oxide synthase dimerization inhibitors NOS3, NOS2, NOS1 IDO1 419/4885CTSS 3516/4885CTSL 4245/4885

“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.