SCHEMBL5525608

SCHEMBL5525608

CC1(C(=O)O)CSC(c2cc(O)ccc2O)=N1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.36
ALDH1A1 P00352 3/20 0.36
GAA P10253 2/20 0.36
HPGD P15428 2/20 0.36
HTT P42858 2/20 0.36
RUNX1 Q01196 2/20 0.36
CBFB Q13951 2/20 0.36
GFER P55789 1/20 0.36
CA12 O43570 3/20 0.33
CA1 P00915 3/20 0.33
CA2 P00918 3/20 0.33
CA7 P43166 3/20 0.33
CA9 Q16790 3/20 0.33
CA14 Q9ULX7 3/20 0.33
ALOX5 P09917 1/20 0.33
PTGS2 P35354 1/20 0.33
NPC1 O15118 1/20 0.33
GRK6 P43250 1/20 0.32
RARA P10276 1/20 0.32
RARB P10826 1/20 0.32

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
SCHEMBL3305314 1.00 MAPT (0.36) MAPTALDH1A1GAAHPGDHTT
Deferitrin SCHEMBL18103545 0.90 TYR (0.35) MAPTALDH1A1GAAHPGDHTT
Deferitrin SCHEMBL663744 0.90 TYR (0.35) MAPTALDH1A1GAAHPGDHTT
Deferitrin SCHEMBL1272026 0.90 TYR (0.35) MAPTALDH1A1GAAHPGDHTT
SCHEMBL27593508 0.86 NPC1 (0.35) MAPTALDH1A1HPGDCA1CA2
SCHEMBL3303995 0.84 NPC1 (0.40) MAPTALDH1A1GAAHPGDHTT
SCHEMBL3303985 0.84 NPC1 (0.40) MAPTALDH1A1GAAHPGDHTT
SCHEMBL13408606 0.84 ACMSD (0.34) MAPTALDH1A1GAAHPGDPTGS2
SCHEMBL1534233 0.83 HTR2B (0.44) MAPTALDH1A1HPGDNPC1HTR2B
SCHEMBL3306772 0.82 CA12 (0.41) MAPTALDH1A1GAAHPGDHTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070232664-A1 Iron binding agents NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2007-10-04 US disclosed
US-7144904-B2 desferrithiocin analogs used as siderophores, for treatment of malaria in humans UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INC. (US) 2006-12-05 US disclosed
US-20050245579-A1 Iron binding agents BERGERON RAYMOND J JR 2005-11-03 US disclosed
US-6864270-B2 Iron binding agents UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INC. (US) 2005-03-08 US disclosed
EP-1488791-A2 Antimalarial agents UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INC. (US) 2004-12-22 EP disclosed
US-20030083349-A1 Iron binding agents UNIVERSITY OF FLORIDA (US) 2003-05-01 US disclosed
EP-1143951-A2 ANTIMALARIAL AGENTS UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INC. (US) 2001-10-17 EP disclosed
WO-2000016763-A2 ANTIMALARIAL AGENTS UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INC. (US) 2000-03-30 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 (3 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-20070232664-A1 Iron binding agents TFRC, SLC40A1, FECH MAPT 1546/4885ALDH1A1 2200/4885GAA 1378/4885
US-20050245579-A1 Iron binding agents TFRC, SLC40A1, FECH MAPT 1546/4885ALDH1A1 2200/4885GAA 1378/4885
US-20030083349-A1 Iron binding agents TFRC, SLC40A1, FECH MAPT 1546/4885ALDH1A1 2200/4885GAA 1378/4885

“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.