SCHEMBL21648065

SCHEMBL21648065

CC(C)CNC(=O)C1CSC(=O)C1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.52
EPHX2 P34913 1/20 0.38
ALDH1A1 P00352 2/20 0.38
CYP2C19 P33261 2/20 0.37
CYP2D6 P10635 1/20 0.37
HPGD P15428 2/20 0.37
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37
KDM4E B2RXH2 1/20 0.36
TP53 P04637 1/20 0.36
HSD17B10 Q99714 1/20 0.36
KMT2A Q03164 3/20 0.36
EPHX1 P07099 1/20 0.35
MEN1 O00255 1/20 0.35
BUB1 O43683 1/20 0.34
HTT P42858 1/20 0.34
CTH P32929 1/20 0.34
POLB P06746 2/20 0.34
LMNA P02545 1/20 0.34
USP2 O75604 1/20 0.34

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
SCHEMBL21648125 0.89 SMN1; SMN2 (0.51) SMN1; SMN2EPHX2ALDH1A1CYP2C19NPC1
SCHEMBL21648128 0.89 SMN1; SMN2 (0.51) SMN1; SMN2EPHX2ALDH1A1CYP2C19NPC1
SCHEMBL21648207 0.89 SMN1; SMN2 (0.51) SMN1; SMN2EPHX2ALDH1A1CYP2C19NPC1
SCHEMBL12108477 0.81 SMN1; SMN2 (0.56) SMN1; SMN2ALDH1A1CYP2C19KDM4EHSD17B10
SCHEMBL21648073 0.79 SMN1; SMN2 (0.53) SMN1; SMN2CYP2C19HPGDNPC1RAB9A
SCHEMBL21648083 0.78 SMN1; SMN2 (0.46) SMN1; SMN2ALDH1A1CYP2C19CYP2D6HPGD
SCHEMBL21648152 0.77 SMN1; SMN2 (0.51) SMN1; SMN2EPHX2ALDH1A1CYP2C19KMT2A
SCHEMBL21648126 0.76 SMN1; SMN2 (0.45) SMN1; SMN2ALDH1A1KDM4EKMT2AMEN1
SCHEMBL21648129 0.76 SMN1; SMN2 (0.45) SMN1; SMN2ALDH1A1KDM4EKMT2AMEN1
SCHEMBL21648133 0.76 SMN1; SMN2 (0.51) SMN1; SMN2CYP2C19KDM4EKMT2AMEN1

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 3610/4885EPHX2 3579/4885ALDH1A1 2831/4885
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 4724/4885EPHX2 2738/4885ALDH1A1 3178/4885

“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.