Sugi Predict

Sugi Predict / Compounds / SCHEMBL691741

SCHEMBL691741

SCHEMBL691741

Cc1c(C(=O)O)cc(Cl)c(O)c1Cl

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ AKR1C2 P52895 8/20 0.52
▸ AKR1C1 Q04828 8/20 0.52
▸ AKR1C4 P17516 1/20 0.52
▸ AKR1C3 P42330 1/20 0.52
▸ TTR P02766 2/20 0.47
▸ HPGD P15428 3/20 0.46
▸ HSD17B10 Q99714 3/20 0.46
▸ ALDH1A1 P00352 3/20 0.46
▸ KDM4E B2RXH2 2/20 0.46
▸ MEN1 O00255 2/20 0.46
▸ KMT2A Q03164 2/20 0.46
▸ MAPT P10636 1/20 0.46
▸ PKM P14618 1/20 0.46
▸ HTT P42858 1/20 0.46
▸ TSHR P16473 3/20 0.41
▸ MAPK1 P28482 1/20 0.41
▸ TDP1 Q9NUW8 1/20 0.41
▸ ACLY P53396 1/20 0.40
▸ TP53 P04637 1/20 0.39
▸ CASP1 P29466 1/20 0.39

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
SCHEMBL23823369 0.86 AKR1C2 (0.53) AKR1C2AKR1C1AKR1C4AKR1C3TTR
SCHEMBL2149302 0.84 AKR1C2 (0.52) AKR1C2AKR1C1AKR1C4AKR1C3TTR
SCHEMBL7863941 0.83 MEN1 (0.44) AKR1C2AKR1C1AKR1C4AKR1C3TTR
SCHEMBL28030639 0.82 DPP4 (0.53) AKR1C2AKR1C1AKR1C4AKR1C3TTR
SCHEMBL5961110 0.82 AKR1C2 (0.59) AKR1C2AKR1C1AKR1C4AKR1C3TTR
SCHEMBL14273026 0.81 AKR1C2 (0.57) AKR1C2AKR1C1AKR1C4AKR1C3TTR
SCHEMBL1513825 0.81 AKR1C2 (0.63) AKR1C2AKR1C1AKR1C4AKR1C3TTR
SCHEMBL10354535 0.78 KDM4E (0.48) AKR1C2AKR1C1AKR1C4AKR1C3HPGD
SCHEMBL6479144 0.77 TPMT (0.50) HPGDHSD17B10ALDH1A1KDM4EMEN1
SCHEMBL17510112 0.77 MEN1 (0.39) AKR1C2AKR1C1AKR1C4AKR1C3TTR

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 30 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160303243-A1 ANIONIC CONJUGATES OF GLYCOSYLATED BACTERIAL METABOLITE GLYCAN BIOSCIENCES LLC (US) 2016-10-20 — — US disclosed
US-9346845-B2 Anionic conjugates of glycosylated bacterial metabolite GLYCAN BIOSCIENCES LLC (US) 2016-05-24 — — US disclosed
US-20140323422-A1 Anionic Conjugates of Glycosylated Bacterial Metabolite Glycosynnovations Pty Ltd (AU) 2014-10-30 — — US disclosed
US-8791245-B2 Anionic conjugates of glycosylated bacterial metabolite Glycan Bioscience LLC (US) 2014-07-29 — — US disclosed
EP-2421877-A1 ANIONIC CONJUGATES OF GLYCOSYLATED BACTERIAL METABOLITE Glycan Biosciences Pty Ltd (AU) 2012-02-29 — — EP disclosed
US-20110190233-A1 ANIONIC CONJUGATES OF GLYCOSYLATED BACTERIAL METABOLITE GLYCAN BIOSCIENCES PTY LTD (AU) 2011-08-04 — — US disclosed
WO-2010037179-A1 ANIONIC CONJUGATES OF GLYCOSYLATED BACTERIAL METABOLITE GLYCAN BIOSCIENCES PTY LTD (AU) 2010-04-08 — — WO disclosed
EP-1292568-B1 BENZAMIDE LIGANDS FOR THE THYROID RECEPTOR BRISTOL MYERS SQUIBB CO (US) 2007-08-15 — — EP disclosed
US-6841560-B2 Substituted isoquinoline derivatives and their use as anticonvulsants SMITHKLINE BEECHAM P.L.C. (GB) 2005-01-11 — — US disclosed
US-20040209912-A1 Substituted isoquinoline derivatives and their use as anticonvulsants SMITHKLINE BEECHAM P.L.C. 2004-10-21 — — US disclosed
US-6245778-B1 1,6-naphthyridine anti-convulsants SMITHKLINE BEECHAM P.L.C. (GB) 2001-06-12 — — US disclosed
EP-1104404-A1 SUBSTITUTED ISOQUINOLINE DERIVATIVES AND THEIR USE AS ANTICONVULSANTS SMITHKLINE BEECHAM PLC (GB) 2001-06-06 — — EP disclosed
EP-1084122-A1 TETRAHYDRONAPHTHYRIDINYL-CARBOXAMIDES HAVING ANTI-CONVULSANT ACTIVITY SMITHKLINE BEECHAM PLC (GB) 2001-03-21 — — EP disclosed
EP-0986559-A1 1,6-NAPHTHYRIDINE ANTI-CONVULSANTS SMITHKLINE BEECHAM PLC (GB) 2000-03-22 — — EP disclosed
WO-2000009486-A1 SUBSTITUTED ISOQUINOLINE DERIVATIVES AND THEIR USE AS ANTICONVULSIVANTS SMITHKLINE BEECHAM P.L.C. (GB) 2000-02-24 — — WO disclosed
EP-0968190-A1 SUBSTITUTED ISOQUINOLINE DERIVATIVES AND THEIR USE AS ANTICONVULSANTS SMITHKLINE BEECHAM PLC (GB) 2000-01-05 — — EP disclosed
WO-1999065903-A1 TETRAHYDRONAPHTHYRIDINYL-CARBOXAMIDES HAVING ANTI-CONVULSANT ACTIVITY SMITHKLINE BEECHAM PLC (GB) 1999-12-23 — — WO disclosed
WO-1998054184-A1 1,6-NAPHTHYRIDINE ANTI-CONVULSANTS SMITHKLINE BEECHAM PLC (GB) 1998-12-03 — — WO disclosed
WO-1998041508-A1 SUBSTITUTED ISOQUINOLINE DERIVATIVES AND THEIR USE AS ANTICONVULSANTS SMITHKLINE BEECHAM PLC (GB) 1998-09-24 — — WO disclosed
WO-1990014235-A1 HEAT-SENSITIVE RECORD MATERIAL SMITH & MCLAURIN LIMITED (GB) 1990-11-29 — — 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 (4 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-20110190233-A1 ANIONIC CONJUGATES OF GLYCOSYLATED BACTERIAL METABOLITE GNE, CD44, FUT5 AKR1C2 1011/4885AKR1C1 1072/4885AKR1C4 913/4885
US-20160303243-A1 ANIONIC CONJUGATES OF GLYCOSYLATED BACTERIAL METABOLITE GNE, CD44, FUT5 AKR1C2 1011/4885AKR1C1 1072/4885AKR1C4 913/4885
US-20140323422-A1 Anionic Conjugates of Glycosylated Bacterial Metabolite GNE, CD44, FUT5 AKR1C2 1011/4885AKR1C1 1072/4885AKR1C4 913/4885
US-20040209912-A1 Substituted isoquinoline derivatives and their use as anticonvulsants INA, GRIN2C, GRIN2A AKR1C2 2274/4885AKR1C1 2812/4885AKR1C4 2570/4885

“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.