SCHEMBL19726324

SCHEMBL19726324

CCOC(=O)C1=CCN(S(=O)(=O)c2ccccc2)C1c1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.49
TSHR P16473 2/20 0.49
GAA P10253 2/20 0.49
KMT2A Q03164 3/20 0.46
MEN1 O00255 2/20 0.46
CYP2C19 P33261 2/20 0.45
CYP3A4 P08684 1/20 0.45
SIRT3 Q9NTG7 1/20 0.44
KDM4E B2RXH2 3/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
HSD17B10 Q99714 1/20 0.43
MAPK1 P28482 1/20 0.43
RAB9A P51151 1/20 0.42
LMNA P02545 1/20 0.42
P2RX3 P56373 1/20 0.42
CACNA1F O60840 1/20 0.41
CACNA1D Q01668 1/20 0.41
CACNA1S Q13698 1/20 0.41
CACNA1C Q13936 1/20 0.41

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
SCHEMBL4939764 0.94 TSHR (0.57) ALDH1A1TSHRGAAKMT2AMEN1
SCHEMBL23776239 0.94 TSHR (0.52) ALDH1A1TSHRGAAKMT2AMEN1
SCHEMBL5163665 0.94 TSHR (0.57) ALDH1A1TSHRGAAKMT2AMEN1
SCHEMBL23775984 0.94 TSHR (0.57) ALDH1A1TSHRGAAKMT2AMEN1
SCHEMBL23776075 0.92 POLB (0.49) ALDH1A1TSHRGAAKMT2AMEN1
SCHEMBL23776153 0.92 NOD2 (0.47) ALDH1A1TSHRGAAKMT2AMEN1
SCHEMBL23775892 0.92 NOD2 (0.50) ALDH1A1TSHRGAAKDM4ESMN1; SMN2
SCHEMBL23775868 0.92 NOD2 (0.50) ALDH1A1TSHRGAAKMT2AMEN1
SCHEMBL25491469 0.90 AR (0.53) TSHRGAAKMT2AMEN1KDM4E
SCHEMBL23776099 0.90 ALDH1A1 (0.42) ALDH1A1TSHRGAASIRT3LMNA

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 6 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
US-20230150935-A1 COMPOUNDS, COMPOSITIONS, AND METHODS FOR MODULATING CALCIUM ION HOMEOSTASIS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2023-05-18 US disclosed
US-20220127226-A1 ANTI-ARRHYTHMICITY AGENTS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2022-04-28 US 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
US-20170362173-A1 ANTI-ARRHYTHMICITY AGENTS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2017-12-21 US disclosed
US-20170362173-A1 ANTI-ARRHYTHMICITY AGENTS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2017-12-21 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 (3 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 ALDH1A1 3911/4885TSHR 4002/4885GAA 2628/4885
US-20170362173-A1 ANTI-ARRHYTHMICITY AGENTS KCNH1, TNNI3, TNNC1 ALDH1A1 806/4885TSHR 3461/4885GAA 3270/4885
US-20220127226-A1 ANTI-ARRHYTHMICITY AGENTS KCNH1, TNNI3, TNNC1 ALDH1A1 806/4885TSHR 3461/4885GAA 3270/4885

“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.