SCHEMBL910607

SCHEMBL910607

N=C(N)N[C@H](CCC(=O)O)C(=O)O.[NaH]

nearest known ligand 0.62

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
FOLH1 Q04609 7/20 0.62
NAALAD2 Q9Y3Q0 5/20 0.62
RIMKLA Q8IXN7 1/20 0.62
GNPAT O15228 1/20 0.45
GGH Q92820 1/20 0.44
CA2 P00918 2/20 0.44
CA1 P00915 1/20 0.44
GAA P10253 1/20 0.44

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
SCHEMBL910273 0.98 FOLH1 (0.64) FOLH1NAALAD2RIMKLAGNPATGGH
SCHEMBL910175 0.98 FOLH1 (0.64) FOLH1NAALAD2RIMKLAGNPATGGH
SCHEMBL910174 0.98 FOLH1 (0.64) FOLH1NAALAD2RIMKLAGNPATGGH
SCHEMBL910360 0.98 FOLH1 (0.64) FOLH1NAALAD2RIMKLAGNPATGGH
Hydrochloric Acid SCHEMBL910549 0.96 FOLH1 (0.62) FOLH1NAALAD2RIMKLAGNPATGGH
Oxalic Acid SCHEMBL910834 0.94 FOLH1 (0.60) FOLH1NAALAD2RIMKLAGNPATGGH
Succinic Acid SCHEMBL911170 0.94 FOLH1 (0.60) FOLH1NAALAD2RIMKLAGNPATGGH
Acetic Acid SCHEMBL910582 0.93 FOLH1 (0.58) FOLH1NAALAD2RIMKLAGNPATGGH
Sulfuric Acid SCHEMBL910205 0.91 FOLH1 (0.56) FOLH1NAALAD2RIMKLAGNPATGGH
Maleic Acid SCHEMBL910784 0.90 FOLH1 (0.55) FOLH1NAALAD2RIMKLAGNPATCA2

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-20110004019-A1 Parakeratosis Inhibitor, Pore-Shrinking Agent, Or Rough Skin Inhibiting/Ameliorating Agent, And External Composition For Skin Containing The Same SHISEIDO COMPANY LTD. (JP) 2011-01-06 US disclosed
EP-2255780-A1 PARAKERATOSIS INHIBITOR, PORE SHRINKING AGENT OR AGENT FOR PREVENTING OR IMPROVING ROUGH SKIN, AND COMPOSITION FOR EXTERNAL USE ON THE SKIN CONTAINING THE SAME Shiseido Company, Ltd. (JP) 2010-12-01 EP 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-20110004019-A1 Parakeratosis Inhibitor, Pore-Shrinking Agent, Or Rough Skin Inhibiting/Ameliorating Agent, And External Composition For Skin Containing The Same CUTA, GLRA3, ARGLU1 FOLH1 4099/4885NAALAD2 1692/4885RIMKLA 881/4885

“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.