SCHEMBL25830987

SCHEMBL25830987

CCC(C)Oc1ccnc2ccc(S(C)(=O)=O)cc12

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAK O14976 1/20 0.46
RIPK2 O43353 4/20 0.42
KDR P35968 2/20 0.42
RET P07949 1/20 0.42
MAPK14 Q16539 1/20 0.42
PKMYT1 Q99640 1/20 0.42
PTGS1 P23219 1/20 0.39
PTGS2 P35354 1/20 0.39
HRH4 Q9H3N8 3/20 0.37
ALDH1A1 P00352 1/20 0.37
SLC6A9 P48067 1/20 0.37
TGFBR1 P36897 1/20 0.35
CBFB Q13951 1/20 0.35
GCK P35557 2/20 0.35
IDO1 P14902 1/20 0.35
S1PR1 P21453 1/20 0.34
RIPK1 Q13546 1/20 0.34
CCNA2 P20248 1/20 0.34
CDK2 P24941 1/20 0.34
CCNA1 P78396 1/20 0.34

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
SCHEMBL26317970 0.81 GAK (0.64) GAKRIPK2KDRRETMAPK14
SCHEMBL25846078 0.77 ROCK2 (0.50) GAKRIPK2KDR
SCHEMBL25830778 0.77 KDM5A (0.44) RETIDO1
SCHEMBL25846276 0.77 SLC2A1 (0.43) RETALDH1A1SLC6A9IDO1
SCHEMBL25830886 0.75 GAK (0.46) GAKRIPK2KDRIDO1AAK1
SCHEMBL25827570 0.75 LOXL2 (0.42) AAK1
SCHEMBL25820152 0.73 HRH4 (0.46) GAKRIPK2KDRRETMAPK14
SCHEMBL2594936 0.73 GAK (0.47) GAKRIPK2KDRRETMAPK14
SCHEMBL16289148 0.71 RIPK2 (0.58) GAKRIPK2KDRRETMAPK14
SCHEMBL16289146 0.70 RIPK2 (0.50) GAKRIPK2KDRRETMAPK14

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230219927-A1 AKT3 MODULATORS Georgiamune Inc. 2023-07-13 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-20230219927-A1 AKT3 MODULATORS AKT3, AKT2, PIK3CA GAK 493/4885RIPK2 830/4885KDR 2851/4885

“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.