SCHEMBL21356579

SCHEMBL21356579

C[C@]12CC[C@@H]3c4ccc(OS(=O)(F)=Nc5ccc(OS(=O)(=O)F)cc5)cc4CC[C@H]3C1CCC2=O

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
STS P08842 12/20 0.67
CA2 P00918 4/20 0.67
CA1 P00915 3/20 0.67
CA9 Q16790 3/20 0.67
KDM4E B2RXH2 2/20 0.67
ESR1 P03372 2/20 0.67
ESR2 Q92731 2/20 0.67
ABCC4 O15439 1/20 0.67
CYP2C9 P11712 1/20 0.67
ABCC1 P33527 1/20 0.67
SLCO1B1 Q9Y6L6 1/20 0.67
CA4 P22748 1/20 0.67
CA6 P23280 1/20 0.67
LMNA P02545 2/20 0.66
MAPT P10636 2/20 0.66
HSD17B1 P14061 2/20 0.66
RECQL P46063 1/20 0.66
SMN1; SMN2 Q16637 1/20 0.66
CYP3A4 P08684 3/20 0.62
ALDH1A1 P00352 1/20 0.57

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
SCHEMBL21034361 0.91 STS (0.80) STSCA2CA1CA9KDM4E
SCHEMBL29435795 0.88 STS (0.57) STSCA2CA1CA9KDM4E
SCHEMBL21377618 0.88 STS (0.57) STSCA2CA1CA9KDM4E
SCHEMBL24258530 0.83 STS (0.65) STSCA2CA1CA9KDM4E
SCHEMBL21067318 0.83 STS (0.84) STSCA2CA1CA9KDM4E
SCHEMBL21378140 0.82 STS (0.65) STSCA2CA1CA9KDM4E
SCHEMBL17531381 0.82 STS (0.82) STSCA2CA1CA9KDM4E
SCHEMBL8034430 0.82 STS (0.82) STSCA2CA1CA9KDM4E
SCHEMBL31321077 0.81 STS (0.77) STSCA2CA1CA9KDM4E
SCHEMBL12054334 0.81 STS (0.77) STSCA2CA1CA9KDM4E

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-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
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 STS 36/4885CA2 3513/4885CA1 3383/4885
US-11254702-B2 Thionyl tetrafluoride modified compounds and uses SFXN3, TST, SIRT3 STS 36/4885CA2 3513/4885CA1 3383/4885

“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.