SCHEMBL22969779

SCHEMBL22969779

CCc1ccccc1CC(F)(F)F

nearest known ligand 0.46

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 3/20 0.46
GABRB2 P47870 3/20 0.46
PDK2 Q15119 1/20 0.40
PTPN5 P54829 1/20 0.38
MGLL Q99685 1/20 0.38
HSD11B1 P28845 1/20 0.37
HCRTR1 O43613 2/20 0.36
HCRTR2 O43614 2/20 0.36
MAPT P10636 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
TP53 P04637 1/20 0.35

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
SCHEMBL11717665 0.87 IDO1 (0.38) GABRA1GABRB2HCRTR1HCRTR2L3MBTL1
SCHEMBL18560070 0.82 AR (0.36) GABRA1GABRB2PDK2HCRTR1HCRTR2
SCHEMBL10019111 0.80 GABRA1 (0.37) GABRA1GABRB2PDK2PTPN5HCRTR1
SCHEMBL25425763 0.79 GABRA1 (0.58) GABRA1GABRB2MGLLMAPTNPSR1
SCHEMBL36294 0.79 GABRA1 (0.58) GABRA1GABRB2MGLLMAPTNPSR1
SCHEMBL29390847 0.79 GABRA1 (0.58) GABRA1GABRB2MGLLMAPTNPSR1
SCHEMBL6685032 0.78 RIPK1 (0.48) GABRA1GABRB2MGLLMAPTNPSR1
SCHEMBL18882522 0.77 GABRA1 (0.43) GABRA1GABRB2PDK2PTPN5MGLL
SCHEMBL9742072 0.77 HCRTR1 (0.30) GABRA1GABRB2HCRTR1HCRTR2
SCHEMBL9742022 0.77 OPRM1 (0.32) GABRA1GABRB2HCRTR1HCRTR2

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-20240025918-A1 KRAS G12D Inhibitors JACOBIO PHARMACEUTICALS CO., LTD. (CN) 2024-01-25 US disclosed
US-20210139477-A1 ALK5 INHIBITORS, CONJUGATES, AND USES THEREOF SILVERBACK THERAPEUTICS, INC. 2021-05-13 US disclosed
WO-2021023247-A1 KRAS MUTANT PROTEIN INHIBITOR JACOBIO PHARMACEUTICALS CO., LTD. (CN) 2021-02-11 WO 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-20210139477-A1 ALK5 INHIBITORS, CONJUGATES, AND USES THEREOF ALK, ALKBH5, ACVR1 GABRA1 2760/4885GABRB2 3351/4885PDK2 4022/4885
US-20240025918-A1 KRAS G12D Inhibitors KRAS, NRAS, HRAS GABRA1 3975/4885GABRB2 4007/4885PDK2 2156/4885

“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.