SCHEMBL22664644

SCHEMBL22664644

Nc1ncnc2c1c(C#Cc1ccccc1)nn2CC1S[S+]([O-])CC1c1cccc(C(=O)O)c1

nearest known ligand 0.56

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ MTOR P42345 3/20 0.56
▸ FGFR2 P21802 2/20 0.40
▸ KDR P35968 2/20 0.40
▸ ABL1 P00519 9/20 0.40
▸ RET P07949 2/20 0.40
▸ KCNH2 Q12809 2/20 0.38
▸ SRC P12931 1/20 0.38
▸ MAP2K5 Q13163 1/20 0.37
▸ PIK3CD O00329 2/20 0.37
▸ PIK3CG P48736 2/20 0.37
▸ PIK3CA P42336 1/20 0.37
▸ PIK3CB P42338 1/20 0.37
▸ BCR P11274 2/20 0.36
▸ BRAF P15056 1/20 0.36
▸ PIK3R2 O00459 1/20 0.36
▸ CHEK2 O96017 1/20 0.36
▸ FYN P06241 2/20 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
SCHEMBL22664645 0.85 MTOR (0.69) MTORFGFR2KDRABL1RET
SCHEMBL22692841 0.82 MTOR (0.74) MTORFGFR2KDRABL1RET
SCHEMBL22692844 0.82 MTOR (0.74) MTORFGFR2KDRABL1RET
SCHEMBL22692825 0.72 MTOR (1.00) MTORFGFR2KDRABL1RET
SCHEMBL22664606 0.71 MTOR (1.00) MTORFGFR2KDRABL1RET
SCHEMBL18250076 0.66 ABL1 (0.59) MTORFGFR2KDRABL1RET
SCHEMBL22692845 0.63 MTOR (0.77) MTORABL1PIK3CDPIK3CGPIK3CA
SCHEMBL22692823 0.62 ABL1 (0.72) MTORKDRABL1RETSRC
SCHEMBL30592662 0.62 SRC (0.48) MTORFGFR2KDRABL1RET
SCHEMBL30592655 0.62 SRC (0.48) MTORFGFR2KDRABL1RET

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-10844038-B2 1,2-dithiolane compounds useful in neuroprotection, autoimmune and cancer diseases and conditions SABILA BIOSCIENCES LLC (US) 2020-11-24 — — US claimed
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 50/4885FGFR2 1099/4885KDR 883/4885

“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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