SCHEMBL6100348

SCHEMBL6100348

C=C[C@@H](OC(=O)c1ccccc1)[C@H]1O[C@@H](OC(C)=O)[C@H](OC(=O)c2ccccc2)[C@@H]1OC(=O)c1ccccc1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 3/20 0.36
TSHR P16473 3/20 0.35
TP53 P04637 1/20 0.35
TRPM8 Q7Z2W7 1/20 0.34
LGALS9 O00182 1/20 0.34
LGALS1 P09382 1/20 0.34
LGALS3 P17931 1/20 0.34
LGALS7; LGALS7B P47929 1/20 0.34
ABCB1 P08183 2/20 0.34
LMNA P02545 2/20 0.34
NPC1 O15118 1/20 0.34
ALDH1A1 P00352 1/20 0.34
HTT P42858 1/20 0.34
RAB9A P51151 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
CYP1A2 P05177 1/20 0.33
CYP2D6 P10635 1/20 0.33
CTSK P43235 1/20 0.33
KMT2A Q03164 1/20 0.33
HTR3E A5X5Y0 1/20 0.33

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
SCHEMBL6877420 0.90 PTPN1 (0.37) PTPN1TSHRTP53TRPM8LGALS9
SCHEMBL6102299 0.90 PTPN1 (0.37) PTPN1TSHRTP53TRPM8LGALS9
SCHEMBL6099581 0.88 PTPN1 (0.36) PTPN1TSHRTP53LGALS9LGALS1
SCHEMBL6100682 0.84 PTPN1 (0.37) PTPN1TSHRTP53LGALS9LGALS1
SCHEMBL6099579 0.84 PTPN1 (0.37) PTPN1TSHRTP53LGALS9LGALS1
SCHEMBL22742954 0.83 LMNA (0.38) PTPN1TSHRTP53LGALS9LGALS1
SCHEMBL31472992 0.83 LMNA (0.38) PTPN1TSHRTP53LGALS9LGALS1
SCHEMBL6098797 0.83 LMNA (0.38) PTPN1TSHRTP53LGALS9LGALS1
SCHEMBL882327 0.83 LMNA (0.38) PTPN1TSHRTP53LGALS9LGALS1
SCHEMBL13134673 0.83 LMNA (0.38) PTPN1TSHRTP53LGALS9LGALS1

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 10 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
US-6831069-B2 Having substituents at the C4' and C5' positions of the ribofuranose moiety; anticancer and immunomodulating effects at reduced cytotoxicity; treating autoimmune diseases, cancer, dermatitis RIBAPHARM INC. 2004-12-14 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
EP-1212326-A4 PYRROLO 2,3-d]PYRIMIDINE NUCLEOSIDE ANALOGS ICN PHARMACEUTICALS (US) 2003-08-20 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
EP-1212326-A1 PYRROLO 2,3-d]PYRIMIDINE NUCLEOSIDE ANALOGS ICN Pharmaceuticals, Inc. (US) 2002-06-12 EP disclosed
US-20020035077-A1 Pyrrolo[2,3-d]pyrimidine nucleoside analogs CEQUENT PHARMACEUTICALS, INC. 2002-03-21 US disclosed
WO-2002003997-A1 PYRIDO[2,3-D]PYRIMIDINE AND PYRIMIDO[4,5-D]PYRIMIDINE NUCLEOSIDES RIBAPHARM INC. (US) 2002-01-17 WO disclosed
WO-2001027114-A1 PYRROLO[2,3-d]PYRIMIDINE NUCLEOSIDE ANALOGS ICN PHARMACEUTICALS, INC. (US) 2001-04-19 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 (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-20020035077-A1 Pyrrolo[2,3-d]pyrimidine nucleoside analogs TYMP, DPYD, TYMS PTPN1 1686/4885TSHR 3814/4885TP53 183/4885
US-20030144502-A1 Pyrido[2,3-d]pyrimidine and pyrimido[4,5-d]pyrimidine nucleosides DPYD, TYMP, PNPO PTPN1 1383/4885TSHR 1518/4885TP53 330/4885

“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.