SCHEMBL19935237

SCHEMBL19935237

COC(CO)SCn1c(=O)sc2cnc(N)nc21

nearest known ligand 0.34

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.34
ALDH1A1 P00352 1/20 0.34
HPGD P15428 1/20 0.34
ADRA1A P35348 1/20 0.34
HSD17B10 Q99714 1/20 0.34
RXFP1 Q9HBX9 1/20 0.34
TKT P29401 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
SCHEMBL21942000 0.87 PIK3CA (0.32) KDM4EALDH1A1HPGDADRA1AHSD17B10
SCHEMBL23615487 0.80 FGFR1 (0.32) KDM4EALDH1A1HPGDADRA1AHSD17B10
SCHEMBL23615469 0.73 KDM4E (0.34) KDM4EALDH1A1HPGDADRA1AHSD17B10
SCHEMBL338669 0.71 AHCY (0.34) TKT
SCHEMBL338668 0.71 AHCY (0.34) TKT
SCHEMBL339335 0.69 ADORA2B (0.41)
SCHEMBL12809034 0.68 KDM4E (0.46) KDM4EALDH1A1HPGDADRA1AHSD17B10
SCHEMBL6974701 0.68 TLR7 (0.41) TKT
SCHEMBL14725022 0.67 KDM4E (0.31) KDM4EALDH1A1HPGDADRA1AHSD17B10
SCHEMBL6983722 0.67 KDM4E (0.31) KDM4EALDH1A1HPGDADRA1AHSD17B10

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-10183954-B2 Oxathiolane carboxylic acids and derivatives for the treatment and prophylaxis of virus infection HOFFMANN-LA ROCHE INC. (US) 2019-01-22 US disclosed
US-20180065991-A1 NOVEL OXATHIOLANE CARBOXYLIC ACIDS AND DERIVATIVES FOR THE TREATMENT AND PROPHYLAXIS OF VIRUS INFECTION HOFFMANN-LA ROCHE INC. (US) 2018-03-08 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-20180065991-A1 NOVEL OXATHIOLANE CARBOXYLIC ACIDS AND DERIVATIVES FOR THE TREATMENT AND PROPHYLAXIS OF VIRUS INFECTION CXCR1, CCR1, SLC7A1 KDM4E 4135/4885ALDH1A1 23/4885HPGD 1507/4885
US-10183954-B2 Oxathiolane carboxylic acids and derivatives for the treatment and prophylaxis of virus infection CXCR1, CCR1, HAVCR2 KDM4E 3878/4885ALDH1A1 16/4885HPGD 1559/4885

“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.