SCHEMBL10017673

SCHEMBL10017673

COC(=O)c1sc(N(C)C)c(C#N)c1C

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLA2G1B P04054 1/20 0.60
ATG4B Q9Y4P1 1/20 0.60
ALDH1A1 P00352 7/20 0.46
RXFP1 Q9HBX9 2/20 0.46
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
ADORA2A P29274 1/20 0.46
MAPK1 P28482 2/20 0.45
APOBEC3G Q9HC16 1/20 0.43
TSHR P16473 1/20 0.42
HSD17B10 Q99714 1/20 0.42
GRIA2 P42262 1/20 0.42
GRIA4 P48058 1/20 0.42
KDM4E B2RXH2 2/20 0.42
NPSR1 Q6W5P4 1/20 0.42
BRAF P15056 2/20 0.41
HPGD P15428 4/20 0.41
LMNA P02545 1/20 0.40
GAA P10253 1/20 0.40
MAPT P10636 2/20 0.38

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
SCHEMBL18430437 0.80 ALDH1A1 (0.50) PLA2G1BATG4BALDH1A1RXFP1MEN1
SCHEMBL23531571 0.77 ALDH1A1 (0.48) PLA2G1BATG4BALDH1A1RXFP1MEN1
SCHEMBL623505 0.77 ALDH1A1 (0.48) PLA2G1BATG4BALDH1A1RXFP1MEN1
SCHEMBL623740 0.77 ADORA2A (0.71) ALDH1A1RXFP1MEN1KMT2AADORA2A
SCHEMBL14624610 0.76 PLA2G1B (0.43) PLA2G1BATG4BALDH1A1RXFP1ADORA2A
SCHEMBL10017671 0.74 GAA (0.48) PLA2G1BATG4BALDH1A1RXFP1MEN1
SCHEMBL3139516 0.74 L3MBTL1 (0.49) PLA2G1BATG4BALDH1A1RXFP1MEN1
SCHEMBL2809243 0.70 MAPT (0.56) ALDH1A1RXFP1MEN1KMT2ATSHR
SCHEMBL3050182 0.70 ADORA2A (0.55) ALDH1A1RXFP1MEN1KMT2AADORA2A
SCHEMBL2644096 0.70 APOBEC3G (0.67) ALDH1A1RXFP1MEN1KMT2AMAPK1

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-8440812-B2 Analogous compounds of 6-thioguanosine triphosphate, their use in medical fields and processes for their preparation NOGRA PHARMA LIMITED (IE) 2013-05-14 US disclosed
US-8114986-B2 Analogous compounds of 6-thioguanosine triphosphate, their use in medical fields and processes for their preparation GIULIANI INTERNATIONAL LIMITED (IE) 2012-02-14 US disclosed
US-20100323980-A9 Improvements to analogous compounds of 6-thioguanosine triphosphate, their use in medical fields and processes for their preparation NOGRA PHARMA LIMITED (IE) 2010-12-23 US disclosed
US-20090258837-A1 Analogous compounds of 6-thioguanosine triphosphate, their use in medical fields and processes for their preparation GIULIANI INTERNATIONAL LIMITED (IE) 2009-10-15 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 (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-20090258837-A1 Analogous compounds of 6-thioguanosine triphosphate, their use in medical fields and processes for their preparation TPMT, MTAP, G6PD PLA2G1B 2850/4885ATG4B 2985/4885ALDH1A1 1888/4885
US-20100323980-A9 Improvements to analogous compounds of 6-thioguanosine triphosphate, their use in medical fields and processes for their preparation TPMT, G6PD, MTAP PLA2G1B 2868/4885ATG4B 2932/4885ALDH1A1 1956/4885

“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.