SCHEMBL1268161

SCHEMBL1268161

COc1cccc(C2=NC(C(=O)O)CS2)c1O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2B P41595 1/20 0.47
GPR35 Q9HC97 1/20 0.41
ALDH1A1 P00352 3/20 0.40
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
MAPT P10636 4/20 0.39
HIF1A Q16665 4/20 0.39
LMNA P02545 3/20 0.39
HTT P42858 1/20 0.39
ABCG2 Q9UNQ0 1/20 0.39
GUSB P08236 1/20 0.39
KDM4E B2RXH2 3/20 0.39
PKM P14618 1/20 0.39
ALOX15 P16050 2/20 0.38
MAPK1 P28482 2/20 0.38
HPGD P15428 2/20 0.38
HSD17B10 Q99714 2/20 0.38

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
SCHEMBL1268158 1.00 HTR2B (0.47) HTR2BGPR35ALDH1A1MEN1KMT2A
SCHEMBL15047709 0.89 HTR2B (0.46) HTR2BALDH1A1MEN1KMT2ANPC1
SCHEMBL15602761 0.87 ALDH1A1 (0.47) HTR2BGPR35ALDH1A1MEN1KMT2A
SCHEMBL15602762 0.87 ALDH1A1 (0.47) HTR2BGPR35ALDH1A1MEN1KMT2A
SCHEMBL15047712 0.84 HTR2B (0.43) HTR2BALDH1A1MEN1KMT2ANPC1
SCHEMBL3328808 0.84 MAPT (0.43) HTR2BGPR35ALDH1A1MEN1KMT2A
SCHEMBL26119968 0.83 HTR2B (0.50) HTR2BGPR35ALDH1A1MEN1KMT2A
SCHEMBL26119975 0.83 HTR2B (0.50) HTR2BGPR35ALDH1A1MEN1KMT2A
SCHEMBL15602812 0.82 HTR2B (0.59) HTR2BGPR35ALDH1A1MEN1KMT2A
SCHEMBL15602915 0.82 HTR2B (0.59) HTR2BGPR35ALDH1A1MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7879886-B2 such as N-benzyl-N-hydroxy-2-(3-hydoxypyridin-2-ene)-1,3-thiazolidine-4-carboxamide, used for reducing the population of Plasmodium in a human infested with Plasmodium protozoans and suffering from malaria UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INC. (US) 2011-02-01 US disclosed
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

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 HTR2B 3804/4885GPR35 2133/4885ALDH1A1 2200/4885
US-20050245579-A1 Iron binding agents TFRC, SLC40A1, FECH HTR2B 3804/4885GPR35 2133/4885ALDH1A1 2200/4885
US-20030083349-A1 Iron binding agents TFRC, SLC40A1, FECH HTR2B 3804/4885GPR35 2133/4885ALDH1A1 2200/4885

“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.