SCHEMBL4049879

SCHEMBL4049879

O=S(=O)(Cc1ccccc1)OCCOCCOCCOCCO

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.47
CA1 P00915 4/20 0.41
CA2 P00918 4/20 0.41
MMP1 P03956 1/20 0.41
MMP2 P08253 1/20 0.41
MMP9 P14780 1/20 0.41
MMP8 P22894 1/20 0.41
MMP13 P45452 1/20 0.41
CA9 Q16790 3/20 0.40
PRSS1 P07477 3/20 0.40
PRSS2 P07478 3/20 0.40
PRSS3 P35030 3/20 0.40
ALDH1A1 P00352 2/20 0.40
FAAH O00519 1/20 0.40
ELANE P08246 1/20 0.40
PRTN3 P24158 1/20 0.40
CA5A P35218 1/20 0.40
HPGD P15428 1/20 0.40
HTT P42858 1/20 0.39
MEN1 O00255 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
SCHEMBL8746194 0.90 KMT2A (0.53) KMT2ACA1CA2MMP1MMP2
SCHEMBL9309031 0.86 KMT2A (0.61) KMT2ACA1CA2MMP1MMP2
SCHEMBL31314673 0.84 KMT2A (0.45) KMT2ACA1CA2MMP1MMP2
SCHEMBL27855048 0.83 KMT2A (0.47) KMT2ACA1CA2MMP1MMP2
SCHEMBL8746110 0.83 KMT2A (0.50) KMT2ACA1CA2MMP1MMP2
SCHEMBL18050608 0.83 KMT2A (0.50) KMT2ACA1CA2MMP1MMP2
SCHEMBL8746236 0.81 KMT2A (0.49) KMT2ACA1CA2MMP1MMP2
SCHEMBL71841 0.79 KMT2A (0.53) KMT2ACA1CA2MMP1MMP2
SCHEMBL7619550 0.78 KMT2A (0.57) KMT2ACA1CA2MMP1MMP2
SCHEMBL3620173 0.77 KMT2A (0.52) KMT2ACA1CA2MMP1MMP2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170326114-A1 COGNITIVE FUNCTION GEORGETOWN UNIVERSITY 2017-11-16 US disclosed
US-20160000762-A1 IMPROVING COGNITIVE FUNCTION NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2016-01-07 US disclosed
WO-2014134287-A1 IMPROVING COGNITIVE FUNCTION THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2014-09-04 WO disclosed
WO-2009114385-A1 LYOTROPIC CHROMOPHORIC COMPOUNDS, LIQUID CRYSTAL SYSTEMS AND OPTICALLY ANISOTROPIC FILMS NITTO DENKO CORPORATION (JP) 2009-09-17 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 (2 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-20170326114-A1 COGNITIVE FUNCTION CHAT, FABP7, BCHE KMT2A 1036/4885CA1 173/4885CA2 1807/4885
US-20160000762-A1 IMPROVING COGNITIVE FUNCTION CHAT, FABP7, GRIN2A KMT2A 1424/4885CA1 338/4885CA2 1942/4885

“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.