SCHEMBL21378148

SCHEMBL21378148

CC1=CN([C@H]2CC(N=[N+]=[N-])[C@@H](CO)O2)C(O)NC1=O

nearest known ligand 0.58

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 2/20 0.58
▸ TSHR P16473 2/20 0.58
▸ TK1 P04183 2/20 0.58
▸ ALB P02768 1/20 0.58
▸ PKM P14618 1/20 0.58
▸ BLM P54132 1/20 0.58
▸ PMP22 Q01453 1/20 0.58
▸ CYP2D6 P10635 1/20 0.58
▸ ABCG2 Q9UNQ0 3/20 0.41
▸ ABCB1 P08183 1/20 0.41
▸ POLB P06746 1/20 0.41
▸ POLA1 P09884 1/20 0.41
▸ POLD1 P28340 1/20 0.41
▸ BCHE P06276 1/20 0.38

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
SCHEMBL19881438 0.87 LMNA (0.53) LMNATSHRTK1ALBPKM
SCHEMBL25514132 0.82 TK1 (0.44) LMNATSHRTK1BLMPMP22
SCHEMBL21414072 0.82 TK1 (0.44) LMNATSHRTK1BLMPMP22
SCHEMBL25914362 0.78 ABCG2 (0.36) LMNATSHRTK1ALBPKM
SCHEMBL20369178 0.78 LMNA (0.50) LMNATSHRTK1ALBPKM
SCHEMBL26941474 0.78 LMNA (0.54) LMNATSHRTK1ALBPKM
SCHEMBL14188556 0.77 TK1 (0.56) LMNATSHRTK1ALBPKM
SCHEMBL13450792 0.77 TK1 (0.56) LMNATSHRTK1ALBPKM
SCHEMBL16450527 0.74 TK1 (0.34) LMNATK1POLB
SCHEMBL24517721 0.73 LMNA (0.39) LMNATSHRTK1ALBPKM

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-11254702-B2 Thionyl tetrafluoride modified compounds and uses THE SCRIPPS RESEARCH INSTITUTE (US) 2022-02-22 — — US disclosed
US-20190284226-A1 THIONYL TETRAFLUORIDE MODIFIED COMPOUNDS AND USES THE SCRIPPS RESEARCH INSTITUTE 2019-09-19 — — 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 (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-20190284226-A1 THIONYL TETRAFLUORIDE MODIFIED COMPOUNDS AND USES SFXN3, TST, SIRT3 LMNA 3980/4885TSHR 1094/4885TK1 1694/4885
US-11254702-B2 Thionyl tetrafluoride modified compounds and uses SFXN3, TST, SIRT3 LMNA 3980/4885TSHR 1094/4885TK1 1694/4885

“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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