SCHEMBL6258700

SCHEMBL6258700

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nearest known ligand 0.39

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 1/20 0.39
TSHR P16473 2/20 0.36
CYP2C9 P11712 1/20 0.34
ALDH1A1 P00352 1/20 0.31

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
SCHEMBL19384838 0.79 PDE4A (0.39) PDE4ATSHRCYP2C9ALDH1A1
SCHEMBL1143744 0.79 PDE4A (0.39) PDE4ATSHRCYP2C9ALDH1A1
SCHEMBL645759 0.79 PDE4A (0.39) PDE4ATSHRCYP2C9ALDH1A1
SCHEMBL10885691 0.79 PDE4A (0.39) PDE4ATSHRCYP2C9ALDH1A1
SCHEMBL373264 0.79 PDE4A (0.39) PDE4ATSHRCYP2C9ALDH1A1
SCHEMBL23925241 0.79 PDE4A (0.39) PDE4ATSHRCYP2C9ALDH1A1
SCHEMBL5029667 0.78 PDE4A (0.38) PDE4ATSHRCYP2C9ALDH1A1
SCHEMBL1037497 0.76 PDE4A (0.36) PDE4ATSHRCYP2C9ALDH1A1
SCHEMBL23923262 0.76 PDE4A (0.36) PDE4ATSHRCYP2C9ALDH1A1
SCHEMBL1950299 0.76 PDE4A (0.36) PDE4ATSHRCYP2C9ALDH1A1

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-20050255038-A1 Conjugates comprising cancer cell specific ligands, a sugar and diagnostic agents and uses thereof A AND D BIOSCIENCE, INC. (US) 2005-11-17 US disclosed
US-20050215487-A1 Conjugates comprising an nsaid and a sugar and uses thereof HOLICK MICHAEL F 2005-09-29 US disclosed
EP-1578402-A2 CONJUGATES COMPRISING AN NSAID AND A SUGAR AND USES THEREOF A & D Bioscience, Inc. (US) 2005-09-28 EP disclosed
WO-2004002457-A2 CONJUGATES COMPRISING AN NSAID AND A SUGAR AND USES THEREOF A & D BIOSCIENCE, INC. (US) 2004-01-08 WO disclosed
WO-2003086475-A1 CONJUGATES COMPRISING CANCER CELL SPECIFIC LIGANDS, A SUGAR AND DIAGNOSTIC AGENTS, AND USES THEREOF A & D BIOSCIENCE, INC. (US) 2003-10-23 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-20050215487-A1 Conjugates comprising an nsaid and a sugar and uses thereof FUT6, FUT5, CD44 PDE4A 1515/4885TSHR 3368/4885CYP2C9 598/4885
US-20050255038-A1 Conjugates comprising cancer cell specific ligands, a sugar and diagnostic agents and uses thereof CD44, FUT5, FUT6 PDE4A 4061/4885TSHR 1789/4885CYP2C9 4850/4885

“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.