SCHEMBL16081682

SCHEMBL16081682

O=S(=O)(O/C1=C/CCCCCCCCC1)C(F)(F)F

nearest known ligand 0.38

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 1/20 0.31
HDAC4 P56524 1/20 0.31
HDAC2 Q92769 1/20 0.31
HDAC8 Q9BY41 1/20 0.31
HDAC6 Q9UBN7 1/20 0.31

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
SCHEMBL12192210 1.00 BACE1 (0.31) BACE1HDAC4HDAC2HDAC8HDAC6
SCHEMBL5830 1.00 BACE1 (0.31) BACE1HDAC4HDAC2HDAC8HDAC6
SCHEMBL201444 0.98 HDAC4 (0.32) BACE1HDAC4HDAC2HDAC8HDAC6
SCHEMBL202259 0.93 BACE1 (0.32) BACE1
SCHEMBL15214822 0.89 HDAC4 (0.30) HDAC4HDAC2HDAC8HDAC6
SCHEMBL12581509 0.85
SCHEMBL15807044 0.85
SCHEMBL12893294 0.83 BACE1 (0.33) BACE1
Formic Acid Methyl Ester SCHEMBL29203565 0.82
SCHEMBL14606200 0.81 HDAC4 (0.32) HDAC4HDAC2HDAC8HDAC6

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-20170291905-A1 ARGININE METHYLTRANSFERASE INHIBITORS AND USES THEREOF Epizyme, Inc. (US) 2017-10-12 US disclosed
US-20170267642-A1 ARGININE METHYLTRANSFERASE INHIBITORS AND USES THEREOF Epizyme, Inc. (US) 2017-09-21 US disclosed
US-9598374-B2 Arginine methyltransferase inhibitors and uses thereof Epizyme, Inc. (US) 2017-03-21 US disclosed
US-20160024016-A1 ARGININE METHYLTRANSFERASE INHIBITORS AND USES THEREOF Epizyme, Inc. (US) 2016-01-28 US disclosed
US-9120757-B2 Arginine methyltransferase inhibitors and uses thereof Epizyme, Inc. (US) 2015-09-01 US disclosed
US-20140315904-A1 ARGININE METHYLTRANSFERASE INHIBITORS AND USES THEREOF Epizyme, Inc. (US) 2014-10-23 US disclosed
WO-2014145095-A1 MACROCYCLIC AND BICYCLIC INHIBITORS OF HEPATITIS C VIRUS GILEAD SCIENCES, INC. (US) 2014-09-18 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 (4 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-20170267642-A1 ARGININE METHYLTRANSFERASE INHIBITORS AND USES THEREOF PRMT1, PRMT3, PRMT5 BACE1 1738/4885HDAC4 715/4885HDAC2 233/4885
US-20140315904-A1 ARGININE METHYLTRANSFERASE INHIBITORS AND USES THEREOF PRMT1, PRMT3, PRMT5 BACE1 1738/4885HDAC4 715/4885HDAC2 233/4885
US-20160024016-A1 ARGININE METHYLTRANSFERASE INHIBITORS AND USES THEREOF PRMT1, PRMT3, PRMT5 BACE1 1738/4885HDAC4 715/4885HDAC2 233/4885
US-20170291905-A1 ARGININE METHYLTRANSFERASE INHIBITORS AND USES THEREOF PRMT1, PRMT3, PRMT6 BACE1 1385/4885HDAC4 872/4885HDAC2 276/4885

“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.