SCHEMBL3486581

SCHEMBL3486581

CCCCCCCCCCCCCCCC(=O)C(O)[C@H]1O[C@@H](n2ccc(=O)[nH]c2=O)[C@H](N(C(=O)CCN)C(=O)OCC2c3ccccc3-c3ccccc32)[C@@]1(O)C(=O)CCCCCCCCCCCCCCC

nearest known ligand 0.34

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
P2RY12 Q9H244 2/20 0.32
NT5E P21589 1/20 0.32
TLR2 O60603 1/20 0.31
P2RY2 P41231 1/20 0.31
P2RY1 P47900 1/20 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
SCHEMBL3486574 0.81 KMT2A (0.38) TLR2
SCHEMBL3486287 0.76 ENTPD2 (0.35) P2RY12
SCHEMBL3486986 0.72 SLC28A1 (0.48) P2RY2
SCHEMBL9069548 0.68 P2RY12 (0.36) P2RY12P2RY2
SCHEMBL6223334 0.66 P2RY12 (0.34) P2RY12
SCHEMBL10458515 0.66 LMNA (0.43) NT5E
SCHEMBL9069521 0.65 P2RY2 (0.35) P2RY12NT5EP2RY2P2RY1
SCHEMBL564852 0.62 P2RY12 (0.44) P2RY12P2RY2P2RY1
SCHEMBL27984222 0.61 KMT2A (0.54) TLR2
SCHEMBL16360194 0.61 KMT2A (0.54) TLR2

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-20100036115-A1 Novel Compositions for the Delivery of Negatively Charged Molecules SIRNA THERAPEUTICS, INC. (US) 2010-02-11 US disclosed
US-7553830-B2 Compositions for the delivery of negatively charged molecules SIRNA THERAPEUTICS, INC. (US) 2009-06-30 US disclosed
EP-1724254-A2 Novel compositions for the delivery of negatively charged molecules Sirna Therapeutics, Inc. (US) 2006-11-22 EP disclosed
US-20030073640-A1 Novel compositions for the delivery of negatively charged molecules RIBOZYME PHARMACEUTICALS, INC. 2003-04-17 US disclosed
US-6395713-B1 CATIONIC LIPIDCATIONIC LIPID RIBOZYME PHARMACEUTICALS, INC. 2002-05-28 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-20100036115-A1 Novel Compositions for the Delivery of Negatively Charged Molecules PHAX, TARBP1, SNRPE P2RY12 3713/4885NT5E 221/4885TLR2 2564/4885
US-20030073640-A1 Novel compositions for the delivery of negatively charged molecules PHAX, TARBP1, SNRPE P2RY12 3713/4885NT5E 221/4885TLR2 2564/4885

“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.