SCHEMBL21648233

SCHEMBL21648233

CC1CC(CC(=O)O)C(=O)S1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.36
KDM4E B2RXH2 1/20 0.36
HTT P42858 1/20 0.36
GABRA5 P31644 5/20 0.36
GABRB2 P47870 5/20 0.36
GABRR1 P24046 4/20 0.36
ITGB3 P05106 1/20 0.34
ITGB2 P05107 1/20 0.34
ITGB1 P05556 1/20 0.34
ITGAV P06756 1/20 0.34
ITGA2B P08514 1/20 0.34
ITGA5 P08648 1/20 0.34
ITGB5 P18084 1/20 0.34
ITGAL P20701 1/20 0.34
SLC6A12 P48065 4/20 0.33
SLC6A13 Q9NSD5 4/20 0.33
SLC6A11 P48066 3/20 0.33
TP53 P04637 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
FOLH1 Q04609 1/20 0.32

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
SCHEMBL21648236 0.81 FOLH1 (0.47) KDM4EHTTFOLH1TDP1
SCHEMBL9818881 0.72 GLA (0.38) TP53L3MBTL1HSD11B1ALDH1A1POLB
SCHEMBL9818877 0.72 GLA (0.38) TP53L3MBTL1HSD11B1ALDH1A1POLB
SCHEMBL11042273 0.67 ITGB3 (0.39) TSHRGABRA5GABRB2GABRR1ITGB3
SCHEMBL6344558 0.65 ITGB3 (0.42) TSHRKDM4EHTTGABRA5GABRB2
SCHEMBL21648194 0.65
SCHEMBL17327814 0.65
SCHEMBL19202208 0.64 TP53 (0.49) TSHRKDM4EHTTGABRA5GABRB2
SCHEMBL10642729 0.63 TP53 (0.56) TSHRKDM4EHTTGABRA5GABRB2
SCHEMBL8631434 0.63 ITGB1 (0.48) TSHRKDM4EHTTGABRA5GABRB2

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-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
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

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 TSHR 4115/4885KDM4E 1132/4885HTT 1595/4885
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 TSHR 4630/4885KDM4E 895/4885HTT 2705/4885

“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.