SCHEMBL5551087

SCHEMBL5551087

CC(C)c1cc(C(=O)O)c(NC(N)=O)s1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.53
GFER P55789 1/20 0.53
MAPT P10636 5/20 0.47
KDM4E B2RXH2 5/20 0.47
IKBKB O14920 5/20 0.43
JAK2 O60674 2/20 0.43
JAK3 P52333 1/20 0.43
CHEK1 O14757 4/20 0.43
MAP4K4 O95819 1/20 0.43
NPC1 O15118 5/20 0.40
RAB9A P51151 5/20 0.40
NPSR1 Q6W5P4 5/20 0.40
ALDH1A1 P00352 4/20 0.40
MEN1 O00255 3/20 0.40
KMT2A Q03164 3/20 0.40
HPGD P15428 2/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
LMNA P02545 1/20 0.40
HTT P42858 1/20 0.40
PTPN5 P54829 1/20 0.39

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
SCHEMBL3083629 0.78 IKBKB (0.50) MAPK1MAPTKDM4EIKBKBJAK2
SCHEMBL16387376 0.75 MAPK1 (0.61) MAPK1GFERMAPTKDM4EIKBKB
SCHEMBL5195431 0.75 MAPT (0.43) MAPK1GFERMAPTKDM4ENPC1
SCHEMBL5556399 0.75 IKBKB (0.46) MAPTKDM4EIKBKBJAK2JAK3
SCHEMBL5554897 0.74 ALDH1A1 (0.60) MAPK1MAPTKDM4EIKBKBJAK2
SCHEMBL5732608 0.74 KMT2A (0.47) MAPK1GFERMAPTKDM4EIKBKB
SCHEMBL5093025 0.74 IKBKB (0.57) MAPK1GFERMAPTKDM4EIKBKB
SCHEMBL5551115 0.73 IKBKB (0.55) IKBKB
SCHEMBL6030446 0.72 CSNK2A2 (0.46) NPC1RAB9AALDH1A1HPGDSMN1; SMN2
SCHEMBL7003372 0.72 MAPK1 (0.54) MAPK1GFERMAPTKDM4EIKBKB

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-20070010556-A1 Thiophene derivatives as chk 1 inhibitors ASTRAZENECA AB (SE) 2007-01-11 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-20070010556-A1 Thiophene derivatives as chk 1 inhibitors CHEK1, CHKA, CHEK2 MAPK1 172/4885GFER 4711/4885MAPT 3514/4885

“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.