SCHEMBL389760

SCHEMBL389760

COC(=O)[C@H]1[C@@H](N)[C@@H]2CC[C@H]1O2

nearest known ligand 0.65

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PPM1B O75688 3/20 0.65
PTPN1 P18031 3/20 0.65
PPP1CC P36873 3/20 0.65
KDM4E B2RXH2 1/20 0.43
GMNN O75496 1/20 0.43
LMNA P02545 1/20 0.43
PMP22 Q01453 1/20 0.43
TFPI2 P48307 1/20 0.43
TP53 P04637 1/20 0.43
TSHR P16473 1/20 0.43
NFKB1 P19838 1/20 0.43
THPO P40225 1/20 0.43
SLC6A4 P31645 5/20 0.43
SLC6A3 Q01959 5/20 0.43

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
SCHEMBL8758236 1.00 PPM1B (0.65) PPM1BPTPN1PPP1CCKDM4EGMNN
SCHEMBL8758385 1.00 PPM1B (0.65) PPM1BPTPN1PPP1CCKDM4EGMNN
SCHEMBL15172570 1.00 PPM1B (0.65) PPM1BPTPN1PPP1CCKDM4EGMNN
SCHEMBL25641811 1.00 PPM1B (0.65) PPM1BPTPN1PPP1CCKDM4EGMNN
Hydrochloric Acid SCHEMBL30288776 0.98 PPM1B (0.62) PPM1BPTPN1PPP1CCKDM4EGMNN
SCHEMBL8080046 0.86 PPM1B (0.84) PPM1BPTPN1PPP1CCKDM4EGMNN
SCHEMBL30760536 0.80 PPM1B (0.68) PPM1BPTPN1PPP1CCKDM4EGMNN
SCHEMBL8758857 0.78 PPM1B (1.00) PPM1BPTPN1PPP1CCKDM4EGMNN
SCHEMBL18235530 0.78 PPM1B (0.72) PPM1BPTPN1PPP1CCKDM4EGMNN
SCHEMBL15590874 0.78 PPM1B (1.00) PPM1BPTPN1PPP1CCKDM4EGMNN

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8101800-B2 5,6-dihydro-1H-pyridin-2-one compounds ANADYS PHARMACEUTICALS, INC. (US) 2012-01-24 US disclosed
US-20110166344-A1 5,6-DIHYDRO-1H-PYRIDIN-2-ONE COMPOUNDS ANADYS PHARMACEUTICALS, INC. (US) 2011-07-07 US disclosed
US-7939524-B2 5,6-dihydro-1H-pyridin-2-one compounds ANADYS PHARMACEUTICALS, INC. (US) 2011-05-10 US disclosed
US-20080292588-A1 1-METHYL-BENZO[1,2,4]THIADIAZINE 1-OXIDE DERIVATIVES ANADYS PHARMACEUTICALS, INC. (US) 2008-11-27 US disclosed
US-20080292588-A1 1-METHYL-BENZO[1,2,4]THIADIAZINE 1-OXIDE DERIVATIVES ANADYS PHARMACEUTICALS, INC. (US) 2008-11-27 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-20110166344-A1 5,6-DIHYDRO-1H-PYRIDIN-2-ONE COMPOUNDS DPYD, NQO1, MT-ND5 PPM1B 1509/4885PTPN1 1869/4885PPP1CC 1984/4885
US-20080292588-A1 1-METHYL-BENZO[1,2,4]THIADIAZINE 1-OXIDE DERIVATIVES CYP1B1, CYP2E1, DAZAP1 PPM1B 531/4885PTPN1 793/4885PPP1CC 1832/4885

“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.