SCHEMBL3362277

SCHEMBL3362277

O=S(=O)(NCN1CCOCC1)c1ccccc1

nearest known ligand 0.60

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.56
MEN1 O00255 1/20 0.56
GAA P10253 1/20 0.56
ALDH1A1 P00352 3/20 0.51
PKM P14618 3/20 0.50
POLB P06746 1/20 0.50
NPC1 O15118 1/20 0.50
HSD17B10 Q99714 1/20 0.50
LMNA P02545 1/20 0.50
TSHR P16473 1/20 0.47
KDM4E B2RXH2 1/20 0.47

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
SCHEMBL4664975 0.85 ATM (0.55) GAAALDH1A1PKMPOLBLMNA
SCHEMBL3719058 0.84 PKM (0.69) KMT2AMEN1ALDH1A1PKMPOLB
SCHEMBL4957448 0.83 ATM (0.54) GAAALDH1A1PKMPOLBLMNA
SCHEMBL13045322 0.82 KMT2A (0.76) KMT2AMEN1ALDH1A1PKMPOLB
SCHEMBL4441885 0.81 GBA1 (0.50) KMT2AMEN1ALDH1A1PKMPOLB
SCHEMBL6565018 0.76 RAB9A (0.62) KMT2AMEN1GAAALDH1A1POLB
SCHEMBL4742905 0.76 LMNA (0.62) KMT2AMEN1ALDH1A1POLBNPC1
Trifluoroacetic Acid SCHEMBL4920012 0.75 ATM (0.49) KMT2AMEN1GAAALDH1A1PKM
SCHEMBL2227656 0.75 PHGDH (0.71) KMT2AMEN1GAAALDH1A1PKM
SCHEMBL4618073 0.74 ALDH1A1 (0.62) KMT2AMEN1ALDH1A1PKMPOLB

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-20100009970-A1 COMPOSITIONS AND METHODS FOR TREATMENT OF VIRAL DISEASES COMBINATORX (SINGAPORE) PTE. LTD. (SG) 2010-01-14 US disclosed
EP-2094670-A1 HETEROCYCLYC SULFONAMIDES HAVING EDG-I ANTAGONISTIC ACTIVITY AstraZeneca AB (SE) 2009-09-02 EP disclosed
WO-2008056150-A1 HETEROCYCLYC SULFONAMIDES HAVING EDG-I ANTAGONISTIC ACTIVITY ASTRAZENECA AB (SE) 2008-05-15 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-20100009970-A1 COMPOSITIONS AND METHODS FOR TREATMENT OF VIRAL DISEASES HTR1A, HTR3B, HTR3A KMT2A 1108/4885MEN1 3638/4885GAA 1045/4885

“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.