SCHEMBL4436239

SCHEMBL4436239

CC(=O)NC(Cc1ccccc1)C(=O)NO

nearest known ligand 0.70

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CTSS P25774 1/20 0.68
CTSK P43235 1/20 0.68
HDAC3 O15379 1/20 0.67
HDAC4 P56524 1/20 0.67
HDAC1 Q13547 1/20 0.67
HDAC2 Q92769 1/20 0.67
HDAC8 Q9BY41 1/20 0.67
ANPEP P15144 1/20 0.66
PAM P19021 1/20 0.60
GNPAT O15228 1/20 0.59
MMP8 P22894 2/20 0.58
MMP1 P03956 2/20 0.58
MMP2 P08253 1/20 0.58
MMP3 P08254 1/20 0.58
MMP9 P14780 1/20 0.56
MMP14 P50281 1/20 0.56
CTRB1 P17538 2/20 0.55
TACR1 P25103 1/20 0.55
FCER2 P06734 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
SCHEMBL13956933 0.87 CTSS (0.68) CTSSCTSKPAMGNPATMMP8
SCHEMBL23376600 0.87 CTSS (0.68) CTSSCTSKPAMGNPATMMP8
SCHEMBL1081111 0.85 GNPAT (0.73) CTSSCTSKPAMGNPAT
SCHEMBL6677690 0.85 GNPAT (0.73) CTSSCTSKPAMGNPAT
SCHEMBL6862498 0.85 GRIA1 (0.57) CTSSCTSKHDAC3HDAC4HDAC1
SCHEMBL5692056 0.85 GNPAT (0.73) CTSSCTSKPAMGNPAT
SCHEMBL28747211 0.85 ACACB (0.55) CTSSCTSKHDAC3HDAC4HDAC1
SCHEMBL27817100 0.85 GNPAT (0.73) CTSSCTSKPAMGNPAT
Afalanine SCHEMBL8587729 0.84 CTSS (0.65) CTSSCTSKPAMGNPATCTRB1
Afalanine SCHEMBL331330 0.84 CTSS (0.65) CTSSCTSKPAMGNPATCTRB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-4391747-B2 2009-12-24 JP claimed
JP-2004532837-A 2004-10-28 JP claimed
US-20040176424-A1 Insecticide and method of controlling insects NUFARM AUSTRALIA LIMITED (AU) 2004-09-09 US claimed
EP-1385379-A4 INSECTICIDE AND METHOD OF CONTROLLING INSECTS NUFARM AUSTRALIA LTD (AU) 2004-06-23 EP claimed
EP-1385379-A1 INSECTICIDE AND METHOD OF CONTROLLING INSECTS NUFARM AUSTRALIA LIMITED (AU) 2004-02-04 EP claimed
WO-2002078448-A1 INSECTICIDE AND METHOD OF CONTROLLING INSECTS NUFARM AUSTRALIA LIMITED (AU) 2002-10-10 WO claimed
CN-1653040-A HIF hydroxylase inhibitors ISIS INNOVATION (GB) 2005-08-10 CN 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-20040176424-A1 Insecticide and method of controlling insects DDT, CYP2B6, NR4A1 CTSS 3097/4885CTSK 4134/4885HDAC3 18/4885

“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.