SCHEMBL21648152

SCHEMBL21648152

O=C1CC(C(=O)NCCO)CS1

nearest known ligand 0.51

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.51
LMNA P02545 2/20 0.38
POLB P06746 2/20 0.34
CTH P32929 1/20 0.33
MEN1 O00255 3/20 0.32
KMT2A Q03164 3/20 0.32
ALDH1A1 P00352 3/20 0.32
BUB1 O43683 1/20 0.32
USP2 O75604 2/20 0.32
CYP2C19 P33261 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
MAPT P10636 1/20 0.31
EPHX2 P34913 1/20 0.30

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
SCHEMBL21648134 0.90 SMN1; SMN2 (0.49) SMN1; SMN2LMNAPOLBMEN1KMT2A
SCHEMBL20298597 0.88 SMN1; SMN2 (0.52) SMN1; SMN2MEN1KMT2ACYP2C19L3MBTL1
SCHEMBL21648073 0.85 SMN1; SMN2 (0.53) SMN1; SMN2LMNAPOLBCTHMEN1
SCHEMBL21648133 0.82 SMN1; SMN2 (0.51) SMN1; SMN2LMNAMEN1KMT2ACYP2C19
SCHEMBL12108477 0.81 SMN1; SMN2 (0.56) SMN1; SMN2LMNAPOLBCTHMEN1
SCHEMBL20298591 0.80 SMN1; SMN2 (0.49) SMN1; SMN2LMNAKMT2AALDH1A1USP2
SCHEMBL21648065 0.77 SMN1; SMN2 (0.52) SMN1; SMN2LMNAPOLBCTHMEN1
SCHEMBL21648207 0.76 SMN1; SMN2 (0.51) SMN1; SMN2LMNAPOLBCTHMEN1
SCHEMBL21648128 0.76 SMN1; SMN2 (0.51) SMN1; SMN2LMNAPOLBCTHMEN1
SCHEMBL21648125 0.76 SMN1; SMN2 (0.51) SMN1; SMN2LMNAPOLBCTHMEN1

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-20200030215-A1 AQUEOUS COMPOSITION COMPRISING A COMPOUND OF THIOLACTONE TYPE AND A SILICONE AND PROCESS FOR TREATING KERATIN MATERIALS WITH THE COMPOSITION L'OREAL (FR) 2020-01-30 US disclosed
US-20200031796-A1 COMPOSITION COMPRISING A COMPOUND OF THIOLACTONE TYPE AND A PARTICULAR SOLVENT AND PROCESS FOR TREATING KERATIN MATERIALS WITH THE COMPOSITION L'OREAL (FR) 2020-01-30 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-20200030215-A1 AQUEOUS COMPOSITION COMPRISING A COMPOUND OF THIOLACTONE TYPE AND A SILICONE AND PROCESS FOR TREATING KERATIN MATERIALS WITH THE COMPOSITION KRT18, MUC1, MGMT SMN1; SMN2 3610/4885LMNA 760/4885POLB 1928/4885
US-20200031796-A1 COMPOSITION COMPRISING A COMPOUND OF THIOLACTONE TYPE AND A PARTICULAR SOLVENT AND PROCESS FOR TREATING KERATIN MATERIALS WITH THE COMPOSITION KRT18, KRTCAP2, MUC1 SMN1; SMN2 4724/4885LMNA 1504/4885POLB 2447/4885

“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.