SCHEMBL16753231

SCHEMBL16753231

CCCOC1=N[C@H](C(=O)O)CC1

nearest known ligand 0.37

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PPM1B O75688 1/20 0.33
PTPN1 P18031 1/20 0.33
PPP1CC P36873 1/20 0.33
LMNA P02545 2/20 0.32
L3MBTL1 Q9Y468 2/20 0.32
PPARG P37231 1/20 0.32
KDM4E B2RXH2 1/20 0.32
ALDH1A1 P00352 1/20 0.32
S1PR5 Q9H228 7/20 0.32
TSHR P16473 1/20 0.31
KMT2A Q03164 1/20 0.31
HSD17B10 Q99714 1/20 0.31
S1PR1 P21453 5/20 0.31
ACACB O00763 1/20 0.30
ACACA Q13085 1/20 0.30
S1PR3 Q99500 3/20 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
SCHEMBL433182 0.86 ALDH1A1 (0.35) PPM1BPTPN1PPP1CCALDH1A1TSHR
SCHEMBL3843373 0.77 CYP1A2 (0.30)
SCHEMBL21383442 0.77 CYP1A2 (0.30)
SCHEMBL3604676 0.69
SCHEMBL2466804 0.66
SCHEMBL16635021 0.66
SCHEMBL7215324 0.65
SCHEMBL17020348 0.63 MEN1 (0.38) PPM1BPTPN1PPP1CCKDM4EALDH1A1
SCHEMBL28768420 0.62 GABRP (0.35)
SCHEMBL5901602 0.62

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-9732085-B2 Pyridinone and pyrimidinone derivatives as factor Xia ONO PHARMACEUTICAL CO., LTD. (JP) 2017-08-15 US disclosed
US-20150152112-A1 COMPOUNDS ONO PHARMACEUTICAL CO., LTD. (JP) 2015-06-04 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 (1 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-20150152112-A1 COMPOUNDS F11, F12, F10 PPM1B 3992/4885PTPN1 1613/4885PPP1CC 4157/4885

“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.