SCHEMBL21995316

SCHEMBL21995316

CN(CCO)C1CCN(S(C)(=O)=O)CC1

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
SMYD3 Q9H7B4 2/20 0.40
POLB P06746 1/20 0.40
LTA4H P09960 1/20 0.39
TSHR P16473 2/20 0.39
ALDH1A1 P00352 1/20 0.39
ATM Q13315 1/20 0.39
NPY5R Q15761 7/20 0.38
CYP2D6 P10635 1/20 0.38
CYP2C19 P33261 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.37
HTT P42858 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
CNR1 P21554 1/20 0.37
CNR2 P34972 1/20 0.37

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
SCHEMBL20243861 0.84 TSHR (0.40) TP53NPSR1SMYD3POLBLTA4H
SCHEMBL21998540 0.82 KMT2A (0.37) NPSR1SMYD3POLBTSHRALDH1A1
SCHEMBL21018242 0.81 TP53 (0.40) TP53NPSR1POLBTSHRALDH1A1
SCHEMBL10092220 0.80 LTA4H (0.41) TP53NPSR1SMYD3POLBLTA4H
SCHEMBL23918620 0.80 TP53 (0.42) TP53NPSR1SMYD3POLBLTA4H
SCHEMBL23634821 0.79 TP53 (0.38) TP53NPSR1SMYD3POLBLTA4H
SCHEMBL771377 0.79 POLB (0.41) TP53NPSR1POLBLTA4HTSHR
SCHEMBL20458810 0.76 TP53 (0.41) TP53NPSR1POLBLTA4HNPY5R
SCHEMBL15762043 0.76 LTA4H (0.39) TP53NPSR1POLBLTA4HTSHR
SCHEMBL10200932 0.76 PIK3CD (0.49) TP53SMYD3POLBLTA4HTSHR

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-20230120736-A1 ANTI-CD98 ANTIBODIES AND ANTIBODY DRUG CONJUGATES ABBVIE INC (US) 2023-04-20 US disclosed
US-20200147235-A1 ANTI-CD98 ANTIBODIES AND ANTIBODY DRUG CONJUGATES ABBVIE INC. 2020-05-14 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-20230120736-A1 ANTI-CD98 ANTIBODIES AND ANTIBODY DRUG CONJUGATES CD99, SLC3A2, CD63 TP53 1808/4885NPSR1 3105/4885SMYD3 411/4885
US-20200147235-A1 ANTI-CD98 ANTIBODIES AND ANTIBODY DRUG CONJUGATES CD99, SLC3A2, CD63 TP53 1808/4885NPSR1 3105/4885SMYD3 411/4885

“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.