SCHEMBL22692844

SCHEMBL22692844

Nc1ncnc2c1c(C#Cc1ccccc1)nn2CC1S[S+]([O-])CC1OC(=O)c1ccccc1

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MTOR P42345 3/20 0.74
▸ FYN P06241 7/20 0.46
▸ PIK3CD O00329 1/20 0.46
▸ PIK3R2 O00459 1/20 0.46
▸ CHEK2 O96017 1/20 0.46
▸ PIK3CG P48736 1/20 0.46
▸ RET P07949 3/20 0.41
▸ ABL1 P00519 1/20 0.41
▸ FGFR2 P21802 2/20 0.41
▸ KDR P35968 2/20 0.41
▸ MAP2K5 Q13163 3/20 0.38
▸ BTK Q06187 8/20 0.37
▸ SRC P12931 5/20 0.37
▸ LYN P07948 4/20 0.37
▸ FLT3 P36888 4/20 0.37
▸ PTK6 Q13882 4/20 0.37
▸ HCK P08631 3/20 0.37
▸ FGR P09769 3/20 0.37
▸ MAP2K1 Q02750 3/20 0.37
▸ BRAF P15056 3/20 0.37

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
SCHEMBL22692841 1.00 MTOR (0.74) MTORFYNPIK3CDPIK3R2CHEK2
SCHEMBL22692825 0.85 MTOR (1.00) MTORFYNPIK3CDPIK3R2CHEK2
SCHEMBL22664644 0.82 MTOR (0.56) MTORFYNPIK3CDPIK3R2CHEK2
SCHEMBL22664622 0.78 MTOR (0.77) MTORFYNPIK3CDPIK3R2CHEK2
SCHEMBL22692845 0.78 MTOR (0.77) MTORFYNPIK3CDPIK3R2CHEK2
SCHEMBL22664606 0.73 MTOR (1.00) MTORFYNPIK3CDPIK3R2CHEK2
SCHEMBL22664645 0.72 MTOR (0.69) MTORFYNPIK3CDPIK3R2CHEK2
SCHEMBL22664643 0.69 FYN (0.79) MTORFYNPIK3CDPIK3R2CHEK2
SCHEMBL18250076 0.68 ABL1 (0.59) MTORPIK3CDPIK3CGRETABL1
SCHEMBL22664630 0.67 FYN (0.76) MTORFYNPIK3CDPIK3R2CHEK2

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-10844038-B2 1,2-dithiolane compounds useful in neuroprotection, autoimmune and cancer diseases and conditions SABILA BIOSCIENCES LLC (US) 2020-11-24 — — 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-10844038-B2 1,2-dithiolane compounds useful in neuroprotection, autoimmune and cancer diseases and conditions BTK, FYN, YES1 MTOR 50/4885FYN 2/4885PIK3CD 191/4885

“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.

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