SCHEMBL21648073

SCHEMBL21648073

CCCNC(=O)C1CSC(=O)C1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.53
CHRNB2 P17787 1/20 0.45
CHRNB4 P30926 1/20 0.45
CHRNA3 P32297 1/20 0.45
CHRNA7 P36544 1/20 0.45
CHRNA4 P43681 1/20 0.45
KDM4E B2RXH2 1/20 0.39
HPGD P15428 1/20 0.39
HSD17B10 Q99714 1/20 0.39
NAAA Q02083 1/20 0.38
MEN1 O00255 1/20 0.38
CYP2C19 P33261 1/20 0.38
KMT2A Q03164 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
GNAI3 P08754 1/20 0.36
GNAO1 P09471 1/20 0.36
GNAI1 P63096 1/20 0.36
HTT P42858 1/20 0.35
NPC1 O15118 2/20 0.35
RAB9A P51151 2/20 0.35

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
SCHEMBL21648133 0.90 SMN1; SMN2 (0.51) SMN1; SMN2KDM4ENAAAMEN1CYP2C19
SCHEMBL20298597 0.86 SMN1; SMN2 (0.52) SMN1; SMN2NAAAMEN1CYP2C19KMT2A
SCHEMBL12108477 0.86 SMN1; SMN2 (0.56) SMN1; SMN2KDM4EHSD17B10MEN1CYP2C19
SCHEMBL21648152 0.85 SMN1; SMN2 (0.51) SMN1; SMN2MEN1CYP2C19KMT2AL3MBTL1
SCHEMBL21648134 0.82 SMN1; SMN2 (0.49) SMN1; SMN2NAAAMEN1CYP2C19KMT2A
SCHEMBL21648065 0.79 SMN1; SMN2 (0.52) SMN1; SMN2KDM4EHPGDHSD17B10MEN1
SCHEMBL20298591 0.78 SMN1; SMN2 (0.49) SMN1; SMN2KDM4EHPGDHSD17B10CYP2C19
SCHEMBL21648207 0.78 SMN1; SMN2 (0.51) SMN1; SMN2MEN1CYP2C19KMT2ANPC1
SCHEMBL21648125 0.78 SMN1; SMN2 (0.51) SMN1; SMN2MEN1CYP2C19KMT2ANPC1
SCHEMBL21648128 0.78 SMN1; SMN2 (0.51) SMN1; SMN2MEN1CYP2C19KMT2ANPC1

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 3610/4885CHRNB2 4340/4885CHRNB4 3805/4885
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 4724/4885CHRNB2 4539/4885CHRNB4 4094/4885

“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.