SCHEMBL6100725

SCHEMBL6100725

C=C[C@@H](OC(=O)c1ccccc1)[C@H]1O[C@@H](OC)[C@H](O)[C@@H]1O

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.37
TP53 P04637 1/20 0.37
NPC1 O15118 3/20 0.36
LMNA P02545 2/20 0.36
RAB9A P51151 2/20 0.36
ALDH1A1 P00352 1/20 0.36
HTT P42858 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
CYP1A2 P05177 1/20 0.35
CYP2D6 P10635 1/20 0.35
SCN1A P35498 1/20 0.35
SCN2A Q99250 1/20 0.35
SCN3A Q9NY46 1/20 0.35
NNMT P40261 1/20 0.35
MEN1 O00255 3/20 0.34
KMT2A Q03164 3/20 0.34
PDCD1 Q15116 1/20 0.34
CD274 Q9NZQ7 1/20 0.34
POLB P06746 2/20 0.34
MAPT P10636 1/20 0.34

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
SCHEMBL6099054 0.87 TSHR (0.36) TSHRTP53NPC1LMNARAB9A
SCHEMBL6102299 0.83 PTPN1 (0.37) TSHRTP53NPC1LMNARAB9A
SCHEMBL6877420 0.83 PTPN1 (0.37) TSHRTP53NPC1LMNARAB9A
SCHEMBL6099053 0.82 LMNA (0.36) TSHRTP53NPC1LMNARAB9A
SCHEMBL384073 0.82 TSHR (0.41) TSHRTP53NPC1LMNARAB9A
SCHEMBL2814026 0.82 TSHR (0.41) TSHRTP53NPC1LMNARAB9A
SCHEMBL781561 0.82 TSHR (0.41) TSHRTP53NPC1LMNARAB9A
SCHEMBL6869344 0.78 TSHR (0.37) TSHRTP53NPC1LMNARAB9A
SCHEMBL6573361 0.78 TSHR (0.37) TSHRTP53NPC1LMNARAB9A
SCHEMBL6100348 0.75 PTPN1 (0.36) TSHRTP53NPC1LMNARAB9A

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-7081449-B2 Pyrido[2,3-d]pyrimidine and pyrimido[4,5-d]pyrimidine nucleosides VALEANT RESEARCH & DEVELOPMENT (US) 2006-07-25 US disclosed
EP-1303282-A4 PYRIDO[2,3-D]PYRIMIDINE AND PYRIMIDO[4,5-D]PYRIMIDINE NUCLEOSIDES RIBAPHARM INC (US) 2004-04-07 EP disclosed
US-20030144502-A1 Pyrido[2,3-d]pyrimidine and pyrimido[4,5-d]pyrimidine nucleosides MDRNA RESEARCH, INC. 2003-07-31 US disclosed
EP-1303282-A1 PYRIDO[2,3-D]PYRIMIDINE AND PYRIMIDO[4,5-D]PYRIMIDINE NUCLEOSIDES Ribapharm, Inc. (US) 2003-04-23 EP disclosed
WO-2002003997-A1 PYRIDO[2,3-D]PYRIMIDINE AND PYRIMIDO[4,5-D]PYRIMIDINE NUCLEOSIDES RIBAPHARM INC. (US) 2002-01-17 WO 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-20030144502-A1 Pyrido[2,3-d]pyrimidine and pyrimido[4,5-d]pyrimidine nucleosides DPYD, TYMP, PNPO TSHR 1518/4885TP53 330/4885NPC1 3327/4885

“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.