SCHEMBL22893227

SCHEMBL22893227

CC(C)OCC1(F)CCN(S(C)(=O)=O)C1

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 12/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
KDM1A O60341 1/20 0.37
CYP2C19 P33261 6/20 0.35
CYP2C9 P11712 4/20 0.35
TSHR P16473 3/20 0.35
CYP3A4 P08684 8/20 0.32
ALOX15 P16050 1/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
CYP1A2 P05177 3/20 0.32
ALDH1A1 P00352 4/20 0.31
USP2 O75604 2/20 0.31
HSD17B10 Q99714 2/20 0.31
HIF1A Q16665 2/20 0.31
HPGD P15428 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
SCHEMBL23564349 0.82 KDM1A (0.39) CYP2D6SMN1; SMN2KDM1ACYP2C19CYP2C9
SCHEMBL23126878 0.76
SCHEMBL18084598 0.75
SCHEMBL23270102 0.75 KDM1A (0.41) CYP2D6SMN1; SMN2KDM1ACYP2C19CYP2C9
SCHEMBL23841640 0.75
SCHEMBL22893236 0.73 SLC6A2 (0.32)
SCHEMBL27059851 0.73 CYP2D6 (0.48) CYP2D6SMN1; SMN2CYP2C19CYP2C9TSHR
SCHEMBL13929775 0.72 CYP2D6 (0.43) CYP2D6SMN1; SMN2CYP2C19CYP2C9TSHR
SCHEMBL25626550 0.71 CYP2D6 (0.53) CYP2D6SMN1; SMN2KDM1ACYP2C19CYP2C9
SCHEMBL22021012 0.71 KDM1A (0.32) KDM1A

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 CYP2D6 3885/4885SMN1; SMN2 3496/4885KDM1A 1844/4885
US-20210009542-A1 PROTEIN TYROSINE PHOSPHATASE INHIBITORS AND METHODS OF USE THEREOF PTPN1, PTPN2, PTPN18 CYP2D6 3885/4885SMN1; SMN2 3496/4885KDM1A 1844/4885

“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.