SCHEMBL22893223

SCHEMBL22893223

CC(C)OCCNS(=O)(=O)C1CC1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 1/20 0.36
ALDH1A1 P00352 8/20 0.35
TSHR P16473 3/20 0.35
MAPT P10636 2/20 0.35
HSD17B10 Q99714 1/20 0.34
NR1D1 P20393 1/20 0.33
HPGD P15428 1/20 0.33
LMNA P02545 1/20 0.32
CYP3A4 P08684 2/20 0.32
MAPK1 P28482 1/20 0.31
CASP3 P42574 1/20 0.31
BLM P54132 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
SENP8 Q96LD8 1/20 0.31
SENP7 Q9BQF6 1/20 0.31
SENP6 Q9GZR1 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
CNR1 P21554 1/20 0.31
CNR2 P34972 1/20 0.31
CYP2C19 P33261 1/20 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
SCHEMBL24914163 0.84 ALDH1A1 (0.34) EPHX2ALDH1A1TSHRMAPT
SCHEMBL6050975 0.79 ALDH1A1 (0.42) ALDH1A1TSHRMAPTHPGDLMNA
SCHEMBL6962282 0.75 CNR1 (0.46) EPHX2ALDH1A1HSD17B10NR1D1CYP3A4
SCHEMBL5907932 0.74 ALDH1A1 (0.38) EPHX2ALDH1A1TSHRMAPT
SCHEMBL18236985 0.73 NR1D1 (0.32) NR1D1CNR1CNR2
SCHEMBL968309 0.72 CA1 (0.45) EPHX2ALDH1A1TSHRHPGD
SCHEMBL12783284 0.72 ALDH1A1 (0.37) EPHX2ALDH1A1TSHRMAPTLMNA
SCHEMBL19824269 0.72 GRIA1 (0.56) EPHX2ALDH1A1TSHRMAPTMAPK1
SCHEMBL16448768 0.72 ALDH1A1 (0.38) EPHX2ALDH1A1TSHRMAPTHPGD
SCHEMBL17771180 0.72 CNR1 (0.39) NR1D1CNR1CNR2

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-20230019236-A1 PROTEIN TYROSINE PHOSPHATASE INHIBITORS AND METHODS OF USE THEREOF CALICO LIFE SCIENCES LLC (US) 2023-01-19 US disclosed
US-20210009542-A1 PROTEIN TYROSINE PHOSPHATASE INHIBITORS AND METHODS OF USE THEREOF ABBVIE INC. 2021-01-14 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-20230019236-A1 PROTEIN TYROSINE PHOSPHATASE INHIBITORS AND METHODS OF USE THEREOF PTPN1, PTPN2, PTPN18 EPHX2 2705/4885ALDH1A1 3671/4885TSHR 895/4885
US-20210009542-A1 PROTEIN TYROSINE PHOSPHATASE INHIBITORS AND METHODS OF USE THEREOF PTPN1, PTPN2, PTPN18 EPHX2 2705/4885ALDH1A1 3671/4885TSHR 895/4885

“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.