SCHEMBL7723403

SCHEMBL7723403

C[C@@H](O)[C@H](NC(=O)c1ccccc1OCc1ccccc1)C(=O)OCc1ccccc1

nearest known ligand 0.55

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ SGMS2 Q8NHU3 5/20 0.55
▸ CTSK P43235 1/20 0.54
▸ NPC1 O15118 1/20 0.53
▸ GAA P10253 1/20 0.52
▸ MEN1 O00255 3/20 0.50
▸ KMT2A Q03164 3/20 0.50
▸ LMNA P02545 1/20 0.50
▸ MAPT P10636 1/20 0.50
▸ L3MBTL1 Q9Y468 1/20 0.50
▸ FAAH O00519 1/20 0.50
▸ CNR1 P21554 1/20 0.50
▸ CNR2 P34972 1/20 0.50
▸ ALDH1A1 P00352 1/20 0.50
▸ PPIA P62937 1/20 0.48
▸ KDM4E B2RXH2 2/20 0.48
▸ TDP1 Q9NUW8 2/20 0.48
▸ CTSL P07711 1/20 0.47
▸ CTSS P25774 1/20 0.47

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
SCHEMBL7723401 1.00 SGMS2 (0.55) SGMS2CTSKNPC1GAAMEN1
SCHEMBL15941245 0.93 SGMS2 (0.55) SGMS2CTSKNPC1GAAMEN1
SCHEMBL7956086 0.93 SGMS2 (0.55) SGMS2CTSKNPC1GAAMEN1
SCHEMBL15947711 0.93 SGMS2 (0.55) SGMS2CTSKNPC1GAAMEN1
SCHEMBL7956090 0.93 SGMS2 (0.55) SGMS2CTSKNPC1GAAMEN1
SCHEMBL15941034 0.90 SGMS2 (0.58) SGMS2CTSKNPC1GAAMEN1
SCHEMBL15941211 0.90 SGMS2 (0.58) SGMS2CTSKNPC1GAAMEN1
SCHEMBL7761787 0.90 SGMS2 (0.58) SGMS2CTSKNPC1GAAMEN1
SCHEMBL17389356 0.85 SGMS2 (0.55) SGMS2CTSKNPC1GAAMEN1
SCHEMBL15947736 0.85 SGMS2 (0.55) SGMS2CTSKNPC1GAAMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160002269-A1 LANTHANIDE CLUSTERS AND METHODS OF USE THEREOF YEDA RESEARCH AND DEVELOPMENT CO. LTD. (IL) 2016-01-07 — — US disclosed
US-20160002269-A1 LANTHANIDE CLUSTERS AND METHODS OF USE THEREOF YEDA RESEARCH AND DEVELOPMENT CO. LTD. (IL) 2016-01-07 — — US disclosed
US-6403623-B1 ADMINISTERING 2-(2-SUBSTITUTED-PHENYL)-2-OXAZOLINES AND RELATED 5-MEMBERED HETEROCYCLES UNUVERSITY OF NOTRE DAME DU LAC 2002-06-11 — — US disclosed
US-6310058-B1 N-HYDROXYAZEPIN-2-ONES SUBSTITUTED AT 3 POSITION WITH A GROUP CONTAINING A 2-PHENYLOXAZOLE OR 2-PHENYLOXAZOLINE GROUP FOR TREATING TUBERCULOSIS UNIVERSITY OF NOTRE DAME DU LAC 2001-10-30 — — 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-20160002269-A1 LANTHANIDE CLUSTERS AND METHODS OF USE THEREOF VAC14, LPXN, SLC39A7 SGMS2 3429/4885CTSK 3165/4885NPC1 3667/4885

“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.

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