SCHEMBL3448776

SCHEMBL3448776

COc1cc(Nc2ncc(-c3cccc(/C=C/C(=O)O)c3)c(-n3ccc(C(F)(F)F)n3)n2)cc(S(C)(=O)=O)c1

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
THRB P10828 1/20 0.39
HTT P42858 1/20 0.39
AXL P30530 2/20 0.37
SYK P43405 7/20 0.36
EGFR P00533 2/20 0.36
BTK Q06187 1/20 0.36
RIPK2 O43353 1/20 0.36
JAK2 O60674 2/20 0.35
JAK3 P52333 2/20 0.35
PTK2 Q05397 2/20 0.35
MAPK3 P27361 1/20 0.35
CNR2 P34972 1/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
ZAP70 P43403 1/20 0.34
KARS1 Q15046 1/20 0.34
KDR P35968 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
SCHEMBL3448777 1.00 THRB (0.39) THRBHTTAXLSYKEGFR
SCHEMBL3448610 0.94 MAPK3 (0.40) THRBHTTAXLSYKEGFR
SCHEMBL3448626 0.94 MAPK3 (0.40) THRBHTTAXLSYKEGFR
SCHEMBL13311805 0.91 ZAP70 (0.38) THRBAXLSYKEGFRBTK
SCHEMBL13312476 0.91 THRB (0.37) THRBHTTAXLSYKEGFR
SCHEMBL3450050 0.90 SYK (0.45) SYKRIPK2JAK2JAK3PTK2
SCHEMBL3450054 0.90 SYK (0.45) SYKRIPK2JAK2JAK3PTK2
SCHEMBL13311981 0.88 THRB (0.35) THRBHTTAXLSYKEGFR
SCHEMBL3448160 0.88 IDH1 (0.37) THRBHTTAXLSYKEGFR
SCHEMBL3448156 0.88 IDH1 (0.37) THRBHTTAXLSYKEGFR

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-20100137313-A1 HETEROCYCLIC DERIVATIVES AND METHODS OF USE THEREOF ASTRAZENECA AB 2010-06-03 US disclosed
US-20100137313-A1 HETEROCYCLIC DERIVATIVES AND METHODS OF USE THEREOF ASTRAZENECA AB 2010-06-03 US disclosed
US-20100137313-A1 HETEROCYCLIC DERIVATIVES AND METHODS OF USE THEREOF ASTRAZENECA AB 2010-06-03 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-20100137313-A1 HETEROCYCLIC DERIVATIVES AND METHODS OF USE THEREOF SDHA, SDHB, UROD THRB 3527/4885HTT 3861/4885AXL 2812/4885

“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.