SCHEMBL17877159

SCHEMBL17877159

CC(C)NC(=O)C(N)Cc1ccccc1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTSC P53634 2/20 0.63
ALPI P09923 1/20 0.59
PKM P14618 1/20 0.59
PTGS1 P23219 1/20 0.59
XIAP P98170 1/20 0.59
SLC7A5 Q01650 1/20 0.59
LTA4H P09960 2/20 0.57
SLC15A1 P46059 1/20 0.56
CTRB1 P17538 3/20 0.55
NPC1 O15118 1/20 0.54
RAB9A P51151 1/20 0.54
CYP3A4 P08684 1/20 0.54
MAPK1 P28482 1/20 0.54
ANPEP P15144 1/20 0.52
RNPEP Q9H4A4 1/20 0.52
DNPEP Q9ULA0 1/20 0.52
OPRD1 P41143 2/20 0.52
OPRM1 P35372 1/20 0.52
OPRK1 P41145 1/20 0.52
LMNA P02545 1/20 0.51

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
SCHEMBL15421957 1.00 CTSC (0.63) CTSCALPIPKMPTGS1XIAP
SCHEMBL10800384 1.00 CTSC (0.63) CTSCALPIPKMPTGS1XIAP
Bromide SCHEMBL10803036 0.98 CTSC (0.61) CTSCALPIPKMPTGS1XIAP
Hydrochloric Acid SCHEMBL7765674 0.98 CTSC (0.61) CTSCALPIPKMPTGS1XIAP
Trifluoroacetic Acid SCHEMBL11026931 0.92 CTSC (0.56) CTSCALPIPKMPTGS1XIAP
Trifluoroacetic Acid SCHEMBL1163885 0.92 CTSC (0.56) CTSCALPIPKMPTGS1XIAP
SCHEMBL12377253 0.91 CTSC (0.59) CTSCCYP3A4ANPEPOPRD1OPRM1
SCHEMBL18554025 0.91 CTSC (0.59) CTSCCYP3A4ANPEPOPRD1OPRM1
SCHEMBL7076107 0.89 LTA4H (0.61) CTSCLTA4HOPRK1
SCHEMBL10135745 0.88 NPC1 (0.67) CTSCALPIPKMPTGS1XIAP

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
US-11168084-B2 Purine based compounds as toll-like receptor 9 antagonist COUNCIL OF SCIENTIFIC & INDUSTRIAL RESEARCH (IN) 2021-11-09 US disclosed
US-20200347062-A1 PURINE BASED COMPOUNDS AS TOLL-LIKE RECEPTOR 9 ANTAGONIST COUNCIL OF SCIENTIFIC & INDUSTRIAL RESEARCH (IN) 2020-11-05 US disclosed
US-20160184459-A1 CANCER CELL SPECIFIC IMAGING PROBES AND METHODS OF USE THE RESEARCH FOUNDATION FOR THE STATE UNIVERSITY OF NEW YORK (US) 2016-06-30 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 (3 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-20160184459-A1 CANCER CELL SPECIFIC IMAGING PROBES AND METHODS OF USE OR10J3, CCR3, GPR3 CTSC 4674/4885ALPI 4687/4885PKM 4392/4885
US-11168084-B2 Purine based compounds as toll-like receptor 9 antagonist TLR9, TLR1, TLR7 CTSC 3015/4885ALPI 1209/4885PKM 1676/4885
US-20200347062-A1 PURINE BASED COMPOUNDS AS TOLL-LIKE RECEPTOR 9 ANTAGONIST TLR9, TLR1, TLR7 CTSC 2965/4885ALPI 1155/4885PKM 1758/4885

“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.