SCHEMBL12427892

SCHEMBL12427892

O=C(O)COc1ccccc1NC(=O)c1ccccc1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 2/20 0.58
GAA P10253 2/20 0.55
POLB P06746 2/20 0.51
HDAC1 Q13547 2/20 0.51
SMN1; SMN2 Q16637 2/20 0.51
TP53 P04637 2/20 0.51
MDM4 O15151 1/20 0.51
HDAC3 O15379 1/20 0.51
HDAC2 Q92769 1/20 0.51
HPGD P15428 1/20 0.51
GLA P06280 1/20 0.51
L3MBTL1 Q9Y468 1/20 0.51
NPC1 O15118 3/20 0.51
RAB9A P51151 3/20 0.51
PTK2 Q05397 1/20 0.51
P4HTM Q9NXG6 1/20 0.51
HDAC8 Q9BY41 1/20 0.50
HDAC6 Q9UBN7 1/20 0.50
ALDH1A1 P00352 1/20 0.50
NR1I2 O75469 1/20 0.49

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
SCHEMBL8970981 0.84 PTK2 (0.70) GAAHDAC1SMN1; SMN2TP53NPC1
Clamidoxic Acid SCHEMBL525147 0.83 KDM4E (0.54) HDAC1SMN1; SMN2HPGDNPC1RAB9A
SCHEMBL9066391 0.83 GAA (0.58) GAAPOLBSMN1; SMN2P4HTMHTT
SCHEMBL11549645 0.83 BRD4 (0.70) GAAHDAC1SMN1; SMN2HDAC2HPGD
SCHEMBL38660185 0.83 BRD4 (0.70) GAAHDAC1SMN1; SMN2HDAC2HPGD
SCHEMBL7360102 0.82 BRD4 (0.69) GAAPOLBSMN1; SMN2HPGDGLA
SCHEMBL9857414 0.81 NR1H4 (0.59)
SCHEMBL126696 0.81 TP53 (0.59) MAPK1POLBHDAC1SMN1; SMN2TP53
SCHEMBL20839491 0.81 PYGL (0.57) MAPK1GAAPOLBHDAC1SMN1; SMN2
SCHEMBL6029544 0.80 GAA (0.58) GAASMN1; SMN2TP53NPC1RAB9A

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-7977506-B2 Amino acid for delivering active materials; bioavailability EMISPHERE TECHNOLOGIES, INC. (US) 2011-07-12 US disclosed
US-20070087958-A1 COMPOUNDS AND COMPOSITIONS FOR DELIVERING ACTIVE AGENTS EMISPHERE TECHNOLOGIES, INC. (US) 2007-04-19 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 (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-20070087958-A1 COMPOUNDS AND COMPOSITIONS FOR DELIVERING ACTIVE AGENTS SERPINB1, ELANE, MMP8 MAPK1 4522/4885GAA 75/4885POLB 985/4885

“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.