Sugi Predict

Sugi Predict / Compounds / SCHEMBL1246522

SCHEMBL1246522

SCHEMBL1246522

O=C[C@H](O)[C@@H](Oc1cc2ccccc2[nH]1)[C@H](O)[C@H](OBr)C(=O)O

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 2/20 0.36
▸ MAPT P10636 1/20 0.36
▸ DAO P14920 1/20 0.36
▸ HPGD P15428 1/20 0.36
▸ SRD5A2 P31213 1/20 0.36
▸ HSD17B10 Q99714 1/20 0.36
▸ PDGFRB P09619 6/20 0.34
▸ PDGFRA P16234 6/20 0.34
▸ FLT3 P36888 4/20 0.34
▸ CYP2A6 P11509 1/20 0.34
▸ LMNA P02545 2/20 0.34
▸ TP53 P04637 1/20 0.34
▸ L3MBTL1 Q9Y468 1/20 0.34
▸ EGFR P00533 2/20 0.32
▸ PIK3CA P42336 2/20 0.32
▸ IDO1 P14902 1/20 0.32
▸ NPC1 O15118 1/20 0.32
▸ RAB9A P51151 1/20 0.32
▸ SMN1; SMN2 Q16637 1/20 0.32
▸ FGFR1 P11362 1/20 0.31

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
SCHEMBL4925150 0.89 PDGFRB (0.34) KDM4EMAPTDAOHPGDSRD5A2
SCHEMBL1399527 0.89 KDM4E (0.36) KDM4EMAPTDAOHPGDSRD5A2
SCHEMBL55697 0.88 KDM4E (0.34) KDM4EMAPTDAOHPGDSRD5A2
SCHEMBL6570396 0.87 KDM4E (0.38) KDM4EMAPTDAOHPGDSRD5A2
SCHEMBL4608629 0.87 KDM4E (0.33) KDM4EMAPTDAOHPGDSRD5A2
SCHEMBL6146231 0.86 KDM4E (0.38) KDM4EMAPTDAOHPGDSRD5A2
Cyclohexane SCHEMBL8638010 0.85 KDM4E (0.32) KDM4EMAPTDAOHPGDSRD5A2
Cyclohexylamine SCHEMBL6923120 0.81 ALDH1A1 (0.33) PDGFRBPDGFRAFAAH
SCHEMBL4926350 0.80 FLT3 (0.34) KDM4EMAPTDAOHPGDSRD5A2
Cyclohexylamine SCHEMBL1254606 0.79 SMYD3 (0.32) KDM4EHSD17B10NPSR1FAAH

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5846761-A Culture medium for the detection of E. coli and process for its use RAMBACH ALAIN (FR) 1998-12-08 — — US claimed
EP-0663959-B1 NOVEL CULTURE MEDIUM FOR THE ENUMERATION OF $i(E. COLI) AND METHOD OF USE RAMBACH ALAIN (FR) 1997-03-05 — — EP claimed
EP-2459734-B1 NOVEL PEPTIDASE SUBSTRATES BIOMERIEUX SA (FR) 2014-10-08 — — EP disclosed
US-8592174-B2 Peptidase substrates bioMérieux, S.A. (FR) 2013-11-26 — — US disclosed
EP-2459734-A2 NOVEL PEPTIDASE SUBSTRATES Biomérieux (FR) 2012-06-06 — — EP disclosed
US-20120122135-A1 Novel Peptidase Substrates bioMerieux, SA (FR) 2012-05-17 — — US disclosed
WO-2011012809-A2 NOVEL PEPTIDASE SUBSTRATES bioMérieux (FR) 2011-02-03 — — WO disclosed
US-20080248518-A1 E.coli and salmonella test kit PATEL CHANDRAVADAN 2008-10-09 — — US disclosed
US-5846761-A Culture medium for the detection of E. coli and process for its use RAMBACH ALAIN (FR) 1998-12-08 — — 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-20120122135-A1 Novel Peptidase Substrates CPN1, CTRL, ANPEP KDM4E 3975/4885MAPT 4874/4885DAO 274/4885

“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.