SCHEMBL21681998

SCHEMBL21681998

CN(C)S(=O)(=O)c1ccc2nc(NC(=O)c3ccc4ccccc4c3)sc2c1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TP53 P04637 4/20 0.70
SMN1; SMN2 Q16637 3/20 0.70
MAPK1 P28482 2/20 0.70
HSD17B10 Q99714 2/20 0.70
TSHR P16473 1/20 0.70
NPC1 O15118 7/20 0.67
RAB9A P51151 7/20 0.67
MEN1 O00255 7/20 0.67
KMT2A Q03164 7/20 0.67
KDM4E B2RXH2 5/20 0.67
ALDH1A1 P00352 5/20 0.67
HPGD P15428 2/20 0.67
RXFP1 Q9HBX9 4/20 0.59
POLB P06746 3/20 0.59
NPSR1 Q6W5P4 1/20 0.58
MAPT P10636 3/20 0.55
CYP1A2 P05177 1/20 0.55
CYP3A4 P08684 1/20 0.55
CYP2C9 P11712 1/20 0.55
CYP2C19 P33261 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
SCHEMBL21681949 0.88 RAB9A (0.79) TP53SMN1; SMN2HSD17B10NPC1RAB9A
SCHEMBL21682001 0.86 MEN1 (0.65) TP53SMN1; SMN2MAPK1NPC1RAB9A
SCHEMBL21681916 0.81 MAP3K5 (0.69) TP53SMN1; SMN2HSD17B10NPC1RAB9A
SCHEMBL17251817 0.81 TP53 (0.75) TP53SMN1; SMN2MAPK1HSD17B10TSHR
SCHEMBL21772271 0.81 TP53 (0.72) TP53SMN1; SMN2MAPK1HSD17B10TSHR
SCHEMBL17251835 0.80 ALDH1A1 (0.74) TP53SMN1; SMN2MAPK1HSD17B10TSHR
SCHEMBL21681919 0.80 NPC1 (0.57) MAPK1HSD17B10NPC1RAB9AMEN1
SCHEMBL4401874 0.80 RAB9A (1.00) TP53SMN1; SMN2MAPK1HSD17B10TSHR
SCHEMBL31398557 0.80 HSD17B10 (0.67) TP53SMN1; SMN2HSD17B10NPC1RAB9A
SCHEMBL14807588 0.79 TOP1 (0.74) SMN1; SMN2NPC1RAB9AMEN1KMT2A

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-20200071316-A1 ACTIVATORS OF THE RETINOIC ACID INDUCIBLE GENE \"RIG-I\" PATHWAY AND METHODS OF USE THEREOF Kineta Immuno-Oncology LLC 2020-03-05 US claimed
WO-2020033782-A1 ACTIVATORS OF THE RETINOIC ACID INDUCIBLE GENE \"RIG-1\" PATHWAY AND METHODS OF USE THEREOF Kineta, Inc. (US) 2020-02-13 WO claimed
US-20200071316-A1 ACTIVATORS OF THE RETINOIC ACID INDUCIBLE GENE \"RIG-I\" PATHWAY AND METHODS OF USE THEREOF Kineta Immuno-Oncology LLC 2020-03-05 US disclosed
WO-2020033782-A1 ACTIVATORS OF THE RETINOIC ACID INDUCIBLE GENE \"RIG-1\" PATHWAY AND METHODS OF USE THEREOF Kineta, Inc. (US) 2020-02-13 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-20200071316-A1 ACTIVATORS OF THE RETINOIC ACID INDUCIBLE GENE \"RIG-I\" PATHWAY AND METHODS OF USE THEREOF RARB, RARG, RARA TP53 1290/4885SMN1; SMN2 3506/4885MAPK1 3113/4885

“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.