SCHEMBL27052016

SCHEMBL27052016

CC(C)c1c(C2CC2)c(C(F)(F)F)cc2nc(N)sc12

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 2/20 0.40
HPGD P15428 1/20 0.40
SMN1; SMN2 Q16637 3/20 0.36
SCN4A P35499 2/20 0.36
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
CDC7 O00311 1/20 0.34
DBF4 Q9UBU7 1/20 0.34
EPHX2 P34913 1/20 0.33
MPL P40238 2/20 0.32
TLR9 Q9NR96 2/20 0.32
TLR8 Q9NR97 2/20 0.32
TLR7 Q9NYK1 2/20 0.32
MAP3K12 Q12852 2/20 0.31
USP2 O75604 1/20 0.31
GAA P10253 1/20 0.31
MAPT P10636 1/20 0.31
ALOX15 P16050 1/20 0.31
GFER P55789 1/20 0.31
DRD2 P14416 1/20 0.30

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
SCHEMBL27051993 0.83 SMN1; SMN2 (0.46) HSD17B10HPGDSMN1; SMN2SCN4ANPC1
SCHEMBL27052017 0.83 HSD17B10 (0.47) HSD17B10HPGDSMN1; SMN2SCN4ANPC1
SCHEMBL27052003 0.82 SMN1; SMN2 (0.39) HSD17B10SMN1; SMN2SCN4ANPC1RAB9A
SCHEMBL27051989 0.80 HSD17B10 (0.44) HSD17B10HPGDSMN1; SMN2SCN4ANPC1
SCHEMBL27051893 0.80 SCN4A (0.36) HSD17B10HPGDSMN1; SMN2SCN4ANPC1
SCHEMBL27051991 0.79 HSD17B10 (0.43) HSD17B10HPGDSMN1; SMN2SCN4ANPC1
SCHEMBL27052015 0.77 HSD17B10 (0.42) HSD17B10HPGDSMN1; SMN2SCN4ANPC1
SCHEMBL27051986 0.77 HSD17B10 (0.42) HSD17B10HPGDSMN1; SMN2SCN4ANPC1
SCHEMBL27051987 0.76 HPGD (0.41) HSD17B10HPGDSMN1; SMN2SCN4ANPC1
SCHEMBL27051971 0.72 SMN1; SMN2 (0.46) HSD17B10HPGDSMN1; SMN2SCN4ANPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240025918-A1 KRAS G12D Inhibitors JACOBIO PHARMACEUTICALS CO., LTD. (CN) 2024-01-25 US disclosed
US-20240025918-A1 KRAS G12D Inhibitors JACOBIO PHARMACEUTICALS CO., LTD. (CN) 2024-01-25 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-20240025918-A1 KRAS G12D Inhibitors KRAS, NRAS, HRAS HSD17B10 3313/4885HPGD 397/4885SMN1; SMN2 3857/4885

“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.