SCHEMBL23757992

SCHEMBL23757992

OC(=S)C=P(c1ccccc1)(c1ccccc1)c1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSP90AA1 P07900 1/20 0.48
ESR1 P03372 3/20 0.39
ESR2 Q92731 2/20 0.39
CA2 P00918 1/20 0.39
CA4 P22748 1/20 0.39
CA5A P35218 1/20 0.39
ALOX15 P16050 1/20 0.37
TSHR P16473 1/20 0.37
CFTR P13569 1/20 0.34
GAA P10253 3/20 0.32
USP2 O75604 1/20 0.32
ALDH1A1 P00352 5/20 0.32
CYP3A4 P08684 1/20 0.32
TAS2R38 P59533 1/20 0.32
HSD17B10 Q99714 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
KMT2A Q03164 2/20 0.31
LMNA P02545 2/20 0.31
HTT P42858 2/20 0.31
MAOA P21397 2/20 0.31

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
SCHEMBL8317686 0.81 HSP90AA1 (0.46) HSP90AA1ESR1ESR2CA2CA4
SCHEMBL8320124 0.79 HSP90AA1 (0.44) HSP90AA1ESR1ESR2CA2CA4
SCHEMBL8322990 0.76 HSP90AA1 (0.42) HSP90AA1ESR1ESR2CA2CA4
SCHEMBL8320896 0.76 HSP90AA1 (0.42) HSP90AA1ESR1ESR2CA2CA4
SCHEMBL7522374 0.75 HSP90AA1 (0.59) HSP90AA1ESR1CA2CA4CA5A
SCHEMBL814 0.75 HSP90AA1 (0.59) HSP90AA1ESR1CA2CA4CA5A
SCHEMBL13800708 0.71 HSP90AA1 (0.46) HSP90AA1ESR1ESR2CA2CA4
SCHEMBL5694513 0.71 HSP90AA1 (0.55) HSP90AA1ESR1CA2CA4CA5A
SCHEMBL1508 0.71 HSP90AA1 (0.55) HSP90AA1ESR1CA2CA4CA5A
SCHEMBL23757989 0.71 HSP90AA1 (0.55) HSP90AA1ESR1CA2CA4CA5A

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-20230150935-A1 COMPOUNDS, COMPOSITIONS, AND METHODS FOR MODULATING CALCIUM ION HOMEOSTASIS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2023-05-18 US disclosed
EP-4103551-A1 COMPOUNDS, COMPOSITIONS, AND METHODS FOR MODULATING CALCIUM ION HOMEOSTASIS The Regents of the University of California (US) 2022-12-21 EP disclosed
WO-2021163493-A1 COMPOUNDS, COMPOSITIONS, AND METHODS FOR MODULATING CALCIUM ION HOMEOSTASIS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2021-08-19 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 (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-20230150935-A1 COMPOUNDS, COMPOSITIONS, AND METHODS FOR MODULATING CALCIUM ION HOMEOSTASIS CHERP, ATP2A1, ATP2A3 HSP90AA1 1446/4885ESR1 632/4885ESR2 829/4885

“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.