SCHEMBL2227656

SCHEMBL2227656

O=S(=O)(NN1CCOCC1)c1ccccc1

nearest known ligand 0.71

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PHGDH O43175 1/20 0.71
HSD17B10 Q99714 1/20 0.54
ALDH1A1 P00352 5/20 0.53
MAPT P10636 1/20 0.53
GAA P10253 2/20 0.52
PKM P14618 2/20 0.51
TSHR P16473 1/20 0.51
KDM4E B2RXH2 1/20 0.50
MEN1 O00255 3/20 0.49
KMT2A Q03164 3/20 0.49
HTT P42858 1/20 0.49
POLB P06746 2/20 0.46
LMNA P02545 3/20 0.45
RAB9A P51151 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
NPC1 O15118 1/20 0.44
SLC40A1 Q9NP59 1/20 0.43

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
SCHEMBL2084284 0.83 ATM (0.51) PHGDHALDH1A1KDM4EMEN1KMT2A
SCHEMBL27486134 0.83 PHGDH (0.71) PHGDHHSD17B10ALDH1A1MAPTTSHR
SCHEMBL17131916 0.83 PHGDH (1.00) PHGDHHSD17B10ALDH1A1MAPTKDM4E
SCHEMBL1020995 0.82 PHGDH (0.66) PHGDHALDH1A1MAPTGAAMEN1
SCHEMBL7115197 0.81 LMNA (0.53) PHGDHALDH1A1MAPTGAATSHR
SCHEMBL3799154 0.81 LMNA (0.53) PHGDHALDH1A1MAPTGAATSHR
SCHEMBL28258290 0.81 PHGDH (0.56) PHGDHALDH1A1MAPTGAATSHR
SCHEMBL1020349 0.81 TDP1 (0.62) PHGDHHSD17B10ALDH1A1MAPTTSHR
Hydrochloric Acid SCHEMBL11538425 0.80 ATM (0.53) PHGDHALDH1A1MAPTGAATSHR
SCHEMBL1864065 0.79 PHGDH (0.54) PHGDHALDH1A1MAPTGAATSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-106573915-A Compounds active against bromodomains 纽韦卢森公司 2017-04-19 CN disclosed
CN-102812006-B Novel antimalaria reagent MMV MEDICINES FOR MALARIA VENTURE (CH) 2016-01-20 CN disclosed
EP-2526090-B1 NEW ANTI-MALARIAL AGENTS MEDICINES FOR MALARIA VENTURE MMV (CH) 2015-08-19 EP disclosed
US-9024033-B2 Anti-malarial agents MMV MEDICINES FOR MALARIA VENTURE (CH) 2015-05-05 US disclosed
CN-102812006-A New anti-malarial agents MEDICINES FOR MALARIA VENTURE MMV 2012-12-05 CN disclosed
US-20120295905-A1 NEW ANTI-MALARIAL AGENTS MMV MEDICINES FOR MALARIA VENTURE (CH) 2012-11-22 US disclosed
CN-102482231-A Sulfonic amide and sulfoximine-substituted diaryl-dihydropyrimidinones and usage thereof Bayer Pharma AG 2012-05-30 CN disclosed
WO-2011086531-A2 NEW ANTI-MALARIAL AGENTS MMV MEDICINES FOR MALARIA VENTURE (CH) 2011-07-21 WO disclosed
EP-1037886-B1 TRIAZINE ANGIOGENESIS INHIBITORS ABBOTT LAB (US) 2003-05-02 EP 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-20120295905-A1 NEW ANTI-MALARIAL AGENTS QDPR, DHFR, ITPA PHGDH 854/4885HSD17B10 3746/4885ALDH1A1 1132/4885

“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.