Sugi Predict

Sugi Predict / Compounds / SCHEMBL7196641

SCHEMBL7196641

SCHEMBL7196641

O=C(O)CCC(O)(CCC(=O)O)C(=O)c1cccc2cc3cccc(C(=O)C(O)(CCC(=O)O)CCC(=O)O)c3cc12

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 4/20 0.41
▸ ALDH1A1 P00352 4/20 0.41
▸ GAA P10253 1/20 0.41
▸ PLA2G2D Q9UNK4 1/20 0.41
▸ KMT2A Q03164 4/20 0.37
▸ MEN1 O00255 3/20 0.37
▸ PTPN1 P18031 1/20 0.37
▸ CYP1A2 P05177 4/20 0.37
▸ HPGD P15428 3/20 0.37
▸ HSD17B10 Q99714 3/20 0.37
▸ GLA P06280 2/20 0.37
▸ CYP2D6 P10635 2/20 0.37
▸ POLB P06746 1/20 0.37
▸ CYP2C19 P33261 2/20 0.35
▸ NR4A1 P22736 1/20 0.35
▸ NR4A2 P43354 1/20 0.35
▸ NR4A3 Q92570 1/20 0.35
▸ GRIN2D O15399 1/20 0.34
▸ GRIN2A Q12879 1/20 0.34
▸ GRIN2B Q13224 1/20 0.34

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
SCHEMBL7200997 0.80 PLA2G2D (0.38) KDM4EALDH1A1GAAPLA2G2DKMT2A
SCHEMBL7199163 0.77 KDM4E (0.38) KDM4EALDH1A1GAAPLA2G2DKMT2A
SCHEMBL71261 0.70 PTPN1 (0.66) KDM4EALDH1A1GAAPLA2G2DKMT2A
SCHEMBL30367135 0.70 PTPN1 (0.66) KDM4EALDH1A1GAAPLA2G2DKMT2A
SCHEMBL7198657 0.70 NR4A2 (0.50) KDM4EALDH1A1GAAKMT2AMEN1
Hydrochloric Acid SCHEMBL6847145 0.69 PTPN1 (0.63) KDM4EALDH1A1GAAPLA2G2DKMT2A
Bromide SCHEMBL11589064 0.68 KDM4E (0.46) KDM4EALDH1A1GAAPLA2G2DKMT2A
SCHEMBL9619786 0.68 NR4A1 (0.47) KDM4EALDH1A1KMT2AMEN1PTPN1
SCHEMBL28438120 0.66 KDM4E (0.61) KDM4EALDH1A1GAAPLA2G2DKMT2A
SCHEMBL1152905 0.66 PLA2G2D (0.62) KDM4EALDH1A1GAAPLA2G2DKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6610663-B2 Antisense compound with targeting and RNA cleaving moieties, preferably an imidazole functionality conjugated to the targeting oligonucleotide via linkers ISIS PHARMACEUTICALS, INC. 2003-08-26 — — US disclosed
US-20020160972-A1 Compositions and methods for modulating RNA ISIS PHARMACEUTICALS, INC. 2002-10-31 — — US disclosed
US-6358931-B1 OLIGONUCLETIDE CONJUGATED TO IMIDAZOLE; INTERCALATION AND COORDINATION COMPOUNDS; MEDICAL DIAGNOSIS, GENE THERAPY; ANTISENSE AGENTS ISIS PHARMACEUTICALS, INC. 2002-03-19 — — US disclosed
EP-0656790-A1 COMPOSITIONS AND METHODS FOR MODULATING RNA ISIS PHARMACEUTICALS, INC. (US) 1995-06-14 — — EP disclosed
WO-1993017717-A1 COMPOSITIONS AND METHODS FOR MODULATING RNA ISIS PHARMACEUTICALS, INC. (US) 1993-09-16 — — WO 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-20020160972-A1 Compositions and methods for modulating RNA RNGTT, NSUN3, NSUN2 KDM4E 2315/4885ALDH1A1 2561/4885GAA 1613/4885

“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.