SCHEMBL19486299

SCHEMBL19486299

CCCCOc1cnc(C(=N)N)c(O)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 2/20 0.42
NR5A1 Q13285 1/20 0.42
PRSS1 P07477 5/20 0.40
TMPRSS2 O15393 2/20 0.40
PRMT1 Q99873 3/20 0.39
F2 P00734 2/20 0.39
ST14 Q9Y5Y6 2/20 0.39
PLAU P00749 1/20 0.39
PRMT5 O14744 1/20 0.39
SLC22A2 O15244 1/20 0.39
SLC22A1 O15245 1/20 0.39
PTP4A3 O75365 1/20 0.39
SLC22A3 O75751 1/20 0.39
F10 P00742 1/20 0.39
PLG P00747 1/20 0.39
S100B P04271 1/20 0.39
CHRM2 P08172 1/20 0.39
CHRM4 P08173 1/20 0.39
CHRM5 P08912 1/20 0.39
ADRA2A P08913 1/20 0.39

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
SCHEMBL19486301 0.92 LTA4H (0.40) LTA4HPRSS1TMPRSS2MEN1MAPT
SCHEMBL19481636 0.82 PRSS1 (0.33) PRSS1TMPRSS2PRMT1F2ST14
SCHEMBL18883788 0.80 MAOB (0.45) LTA4HNR5A1GAARAB9AMEN1
SCHEMBL19486307 0.75 F2 (0.49) LTA4HNR5A1PRSS1TMPRSS2F2
SCHEMBL15149435 0.73 PRSS1 (0.47) PRSS1TMPRSS2PRMT1F2ST14
SCHEMBL16360536 0.73 LMNA (0.33)
SCHEMBL13541415 0.70 LTA4H (0.50) LTA4HNR5A1CYP2D6GAARAB9A
SCHEMBL18735816 0.70 NOS1 (0.42) PRSS1F2PLAUF10PLG
SCHEMBL31628187 0.70 NOS1 (0.42) PRSS1F2PLAUF10PLG
SCHEMBL27291557 0.70 RAB9A (0.52) CYP2D6GAARAB9ANPC1ALDH1A1

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-20180148439-A1 DEUTERATED O-SULFATED BETA LACTAM HYDROXAMIC ACIDS AND DEUTERATED N-SULFATED BETA LACTAMS ARIXA PHARMACEUTICALS, INC. 2018-05-31 US disclosed
US-20170298057-A1 DEUTERATED O-SULFATED BETA LACTAM HYDROXAMIC ACIDS AND DEUTERATED N- SULFATED BETA LACTAMS ARIXA PHARMACEUTICALS, INC. 2017-10-19 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-20170298057-A1 DEUTERATED O-SULFATED BETA LACTAM HYDROXAMIC ACIDS AND DEUTERATED N- SULFATED BETA LACTAMS DDOST, LBR, STS LTA4H 1637/4885NR5A1 815/4885PRSS1 295/4885
US-20180148439-A1 DEUTERATED O-SULFATED BETA LACTAM HYDROXAMIC ACIDS AND DEUTERATED N-SULFATED BETA LACTAMS DDOST, LBR, STS LTA4H 1637/4885NR5A1 815/4885PRSS1 295/4885

“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.