SCHEMBL14860697

SCHEMBL14860697

C/C(N)=C(\C=C\C(=O)O)C(=O)O

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.45
TP53 P04637 1/20 0.45
EGLN1 Q9GZT9 1/20 0.45
EGLN3 Q9H6Z9 1/20 0.45
ALDH1A1 P00352 4/20 0.38
TDP1 Q9NUW8 3/20 0.38
ALOX15 P16050 3/20 0.38
HSD17B10 Q99714 3/20 0.38
RECQL P46063 2/20 0.38
HCAR2 Q8TDS4 4/20 0.37
GABRP O00591 2/20 0.36
GABRD O14764 2/20 0.36
GABRA1 P14867 2/20 0.36
GABRB1 P18505 2/20 0.36
GABRG2 P18507 2/20 0.36
GABRB3 P28472 2/20 0.36
GABRA5 P31644 2/20 0.36
GABRA3 P34903 2/20 0.36
GABRA2 P47869 2/20 0.36
GABRB2 P47870 2/20 0.36

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
SCHEMBL14860698 1.00 TSHR (0.45) TSHRTP53EGLN1EGLN3ALDH1A1
SCHEMBL14860699 1.00 TSHR (0.45) TSHRTP53EGLN1EGLN3ALDH1A1
SCHEMBL20472369 0.85 LMNA (0.33) TDP1ALOX15BLMLMNAPMP22
Maleic Acid SCHEMBL6830928 0.78 TSHR (0.64) TSHRTP53EGLN1EGLN3ALDH1A1
Fumaric Acid SCHEMBL27577950 0.78 TSHR (0.64) TSHRTP53EGLN1EGLN3ALDH1A1
Maleic Acid SCHEMBL8050273 0.78 TSHR (0.64) TSHRTP53EGLN1EGLN3ALDH1A1
Fumaric Acid SCHEMBL4770527 0.78 TSHR (0.64) TSHRTP53EGLN1EGLN3ALDH1A1
Fumaric Acid SCHEMBL4770513 0.78 TSHR (0.64) TSHRTP53EGLN1EGLN3ALDH1A1
SCHEMBL4894532 0.78 HCAR2 (0.54) ALDH1A1TDP1ALOX15HSD17B10RECQL
SCHEMBL188136 0.77 TSHR (0.47) TSHRTP53EGLN1EGLN3ALDH1A1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8895571-B2 Isoindolinone and pyrrolopyridinone derivatives as Akt inhibitors INCYTE CORPORATION (US) 2014-11-25 US disclosed
WO-2013056015-A1 ISOINDOLINONE AND PYRROLOPYRIDINONE DERIVATIVES AS AKT INHIBITORS INCYTE CORPORATION (US) 2013-04-18 WO disclosed
US-20130096144-A1 ISOINDOLINONE AND PYRROLOPYRIDINONE DERIVATIVES AS AKT INHIBITORS INCYTE CORPORATION (US) 2013-04-18 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-20130096144-A1 ISOINDOLINONE AND PYRROLOPYRIDINONE DERIVATIVES AS AKT INHIBITORS MTOR, PDPK1, PIK3CA TSHR 4065/4885TP53 258/4885EGLN1 1632/4885

“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.