SCHEMBL16059052

SCHEMBL16059052

CCOC(=O)c1c(OS(=O)(=O)C(F)(F)F)nc2c(c(C)nn2C(C)C)c1Cl

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.36
ADORA1 P30542 1/20 0.34
ALDH1A1 P00352 6/20 0.33
LMNA P02545 5/20 0.33
NPSR1 Q6W5P4 3/20 0.33
NR3C1 P04150 2/20 0.33
MAPK1 P28482 2/20 0.33
PDE4B Q07343 1/20 0.33
PDE4D Q08499 1/20 0.33
KDM4E B2RXH2 4/20 0.32
HPGD P15428 3/20 0.32
TSHR P16473 3/20 0.32
GAA P10253 2/20 0.32
L3MBTL1 Q9Y468 2/20 0.32
CASP1 P29466 1/20 0.32
CASP7 P55210 1/20 0.32
HSD17B10 Q99714 1/20 0.32
MAPT P10636 4/20 0.32
NPC1 O15118 1/20 0.32
RAB9A P51151 1/20 0.32

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
SCHEMBL19185352 0.79 KMT2A (0.43) KMT2AALDH1A1LMNANPSR1NR3C1
SCHEMBL12499254 0.78 PDE4B (0.37) KMT2AADORA1ALDH1A1LMNANPSR1
SCHEMBL6288151 0.74 KDM4E (0.40) KMT2AALDH1A1NR3C1KDM4EHSD17B10
SCHEMBL16058079 0.69 PIK3CD (0.42) KMT2AALDH1A1LMNANPSR1KDM4E
SCHEMBL16058118 0.69 ADORA1 (0.42) ADORA1ALDH1A1MAPK1PDE4BKDM4E
SCHEMBL16058050 0.67 ALDH1A1 (0.39) KMT2AALDH1A1LMNANPSR1PDE4B
SCHEMBL5571616 0.66 POLB (0.38) KMT2AADORA1ALDH1A1LMNANPSR1
SCHEMBL11719032 0.65 KMT2A (0.62) KMT2AALDH1A1LMNANPSR1MAPK1
SCHEMBL25434006 0.64 POLB (0.50) KMT2AADORA1ALDH1A1LMNAMAPK1
SCHEMBL30984344 0.64 PDE4D (0.46) KMT2AADORA1ALDH1A1LMNANPSR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2970266-B1 1-PHENOXY-3-(ALKYLAMINO)-PROPAN-2-OL DERIVATIVES AS CARM1 INHIBITORS AND USES THEREOF EPIZYME INC (US) 2018-01-31 EP disclosed
US-20170283440-A1 CARM1 INHIBITORS AND USES THEREOF Epizyme, Inc. (US) 2017-10-05 US disclosed
US-9718816-B2 1-phenoxy-3-(alkylamino)-propan-2-ol derivatives as CARM1 inhibitors and uses thereof Epizyme, Inc. (US) 2017-08-01 US disclosed
WO-2016044650-A1 CARM1 INHIBITORS AND USES THEREOF Epizyme, Inc. (US) 2016-03-24 WO disclosed
US-20160052922-A1 1-PHENOXY-3-(ALKYLAMINO)-PROPAN-2-OL DERIVATIVES AS CARM1 INHIBITORS AND USES THEREOF Epizyme. Inc. (US) 2016-02-25 US disclosed
EP-2970266-A1 1 -PHENOXY-3-(ALKYLAMINO)-PROPAN-2-OL DERIVATIVES AS CARM1 INHIBITORS AND USES THEREOF Epizyme, Inc. (US) 2016-01-20 EP disclosed
WO-2014144455-A1 1 -PHENOXY-3-(ALKYLAMINO)-PROPAN-2-OL DERIVATIVES AS CARM1 INHIBITORS AND USES THEREOF Epizyme, Inc. (US) 2014-09-18 WO disclosed
WO-2014144455-A1 1 -PHENOXY-3-(ALKYLAMINO)-PROPAN-2-OL DERIVATIVES AS CARM1 INHIBITORS AND USES THEREOF Epizyme, 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 (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-20160052922-A1 1-PHENOXY-3-(ALKYLAMINO)-PROPAN-2-OL DERIVATIVES AS CARM1 INHIBITORS AND USES THEREOF CARM1, ADRM1, PBRM1 KMT2A 91/4885ADORA1 1817/4885ALDH1A1 951/4885
US-20170283440-A1 CARM1 INHIBITORS AND USES THEREOF CARM1, ADRM1, TIAM1 KMT2A 47/4885ADORA1 1599/4885ALDH1A1 1277/4885

“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.