SCHEMBL3329469

SCHEMBL3329469

CC1(C)SC(c2ccccc2O)=N[C@H]1C(=O)O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2B P41595 10/20 0.43
HTR2C P28335 3/20 0.40
THRB P10828 1/20 0.36
RAB9A P51151 1/20 0.36
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
ALDH1A1 P00352 2/20 0.34
HPGD P15428 2/20 0.34
BCL2L1 Q07817 1/20 0.34
HSD17B10 Q99714 1/20 0.34
MAPT P10636 1/20 0.34
HTR1D P28221 1/20 0.33
HTR2A P28223 1/20 0.33
HTR7 P34969 1/20 0.33
HTR3A P46098 1/20 0.33
HTR6 P50406 1/20 0.33
KDM4E B2RXH2 1/20 0.33
CYP2D6 P10635 1/20 0.33
TRPM8 Q7Z2W7 1/20 0.33
FNTA P49354 1/20 0.33

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
SCHEMBL3329473 1.00 HTR2B (0.43) HTR2BHTR2CTHRBRAB9AMEN1
SCHEMBL13318725 0.78 HTR2B (0.48) HTR2BHTR2CTHRBRAB9AKMT2A
Ebaresdax SCHEMBL22288068 0.73 PIM1 (0.38) RAB9AMEN1KMT2AALDH1A1HPGD
Ebaresdax SCHEMBL22285901 0.73 PIM1 (0.38) RAB9AMEN1KMT2AALDH1A1HPGD
Ebaresdax SCHEMBL11927657 0.73 PIM1 (0.38) RAB9AMEN1KMT2AALDH1A1HPGD
Ebaresdax SCHEMBL11927658 0.73 PIM1 (0.38) RAB9AMEN1KMT2AALDH1A1HPGD
Ebaresdax SCHEMBL22285896 0.72 PIM1 (0.37) RAB9AMEN1KMT2AALDH1A1HPGD
Ebaresdax SCHEMBL22285897 0.72 PIM1 (0.37) RAB9AMEN1KMT2AALDH1A1HPGD
SCHEMBL5498678 0.72 BCL2L1 (0.40) RAB9AALDH1A1HPGDBCL2L1KDM4E
SCHEMBL3305343 0.69 HTR2B (0.51) HTR2BHTR2CRAB9AALDH1A1HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100137346-A1 DESFERRITHIOCIN ANALOGUE ACTINIDE DECORPORATION AGENTS UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INC. (US) 2010-06-03 US disclosed
EP-2101764-A2 DESFERRITHIOCIN ANALOGUE ACTINIDE DECORPORATION AGENTS UNIVERSITY OF FLORIDA (US) 2009-09-23 EP disclosed
WO-2008130395-A2 DESFERRITHIOCIN ANALOGUE ACTINIDE DECORPORATION AGENTS UNIVERSITY OF FLORIDA (US) 2008-10-30 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 (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-20100137346-A1 DESFERRITHIOCIN ANALOGUE ACTINIDE DECORPORATION AGENTS TFRC, SLC40A1, FIBP HTR2B 3077/4885HTR2C 3801/4885THRB 978/4885

“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.