Sugi Predict

Sugi Predict / Compounds / SCHEMBL4369094

SCHEMBL4369094

SCHEMBL4369094

O=C(O)CCC(C(=O)O)N1CCN(CC(=O)O)Cc2cccc(n2)CN(CC(=O)O)CC1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALB P02768 1/20 0.39
▸ KDM4E B2RXH2 1/20 0.39
▸ ALDH1A1 P00352 1/20 0.39
▸ TP53 P04637 1/20 0.39
▸ GLA P06280 1/20 0.39
▸ POLB P06746 1/20 0.39
▸ CYP3A4 P08684 1/20 0.39
▸ CYP2D6 P10635 1/20 0.39
▸ HPGD P15428 1/20 0.39
▸ ALOX12 P18054 1/20 0.39
▸ NFKB1 P19838 1/20 0.39
▸ APEX1 P27695 1/20 0.39
▸ MAPK1 P28482 1/20 0.39
▸ HSD17B10 Q99714 1/20 0.39
▸ SLC6A9 P48067 6/20 0.38
▸ FOLH1 Q04609 4/20 0.37
▸ CACNA2D1 P54289 2/20 0.33
▸ CACNA1B Q00975 2/20 0.33
▸ CACNB1 Q02641 2/20 0.33
▸ CACNA1C Q13936 2/20 0.33

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
SCHEMBL1673149 0.95 SLC6A9 (0.39) ALBKDM4EALDH1A1TP53GLA
SCHEMBL4372295 0.93 ALB (0.38) ALBKDM4EALDH1A1TP53GLA
SCHEMBL25469971 0.89 HSD17B10 (0.43) ALBKDM4EALDH1A1TP53GLA
SCHEMBL10019122 0.89 HSD17B10 (0.43) ALBKDM4EALDH1A1TP53GLA
SCHEMBL22622540 0.89 HSD17B10 (0.43) ALBKDM4EALDH1A1TP53GLA
SCHEMBL4359589 0.88 SLC6A9 (0.39) ALBPOLBMAPK1HSD17B10SLC6A9
SCHEMBL18709168 0.88 SLC6A9 (0.37) ALBSLC6A9FOLH1CACNA2D1CACNA1B
SCHEMBL4366967 0.87 ALB (0.36) ALBSLC6A9FOLH1CACNA2D1CACNA1B
SCHEMBL4374792 0.87 BACE1 (0.38) ALDH1A1LMNA
SCHEMBL24078675 0.84 KDM4E (0.40) ALBKDM4EALDH1A1TP53GLA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8268810-B2 Lipophilic chelates and their use in imaging GUERBET (FR) 2012-09-18 — — US disclosed
US-8268810-B2 Lipophilic chelates and their use in imaging GUERBET (FR) 2012-09-18 — — US disclosed
US-8268810-B2 Lipophilic chelates and their use in imaging GUERBET (FR) 2012-09-18 — — US disclosed
US-20090214441-A1 Lipophilic Chelates and Their Use in Imaging GUERBET (FR) 2009-08-27 — — US disclosed
US-20090214441-A1 Lipophilic Chelates and Their Use in Imaging GUERBET (FR) 2009-08-27 — — US disclosed
US-20090214441-A1 Lipophilic Chelates and Their Use in Imaging GUERBET (FR) 2009-08-27 — — US disclosed
EP-1885721-B1 METAL CHELATES OF POLYAMINOCARBOXYLIC MACROCYCLIC DERIVATIVES AND USE THEREOF IN DIAGNOSTIC IMAGING GUERBET SA (FR) 2009-07-29 — — 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-20090214441-A1 Lipophilic Chelates and Their Use in Imaging SLC40A1, TSPO, SLC47A2 ALB 1926/4885KDM4E 1946/4885ALDH1A1 2637/4885

“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.