SCHEMBL16807234

SCHEMBL16807234

CCOC(=O)c1cc(OC)n(CCC(F)(F)F)n1

nearest known ligand 0.42

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.42
MAPT P10636 5/20 0.42
TDP1 Q9NUW8 2/20 0.42
TP53 P04637 2/20 0.42
POLB P06746 1/20 0.42
GAA P10253 2/20 0.41
MEN1 O00255 1/20 0.39
ALDH1A1 P00352 1/20 0.39
THRB P10828 2/20 0.39
RXFP1 Q9HBX9 1/20 0.37

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
SCHEMBL16796412 0.84 KMT2A (0.42) KMT2ATP53POLBGAAMEN1
SCHEMBL16796443 0.84 KDM4C (0.36) MAPTGAAALDH1A1
SCHEMBL20753233 0.83 MAPT (0.44) KMT2AMAPTTDP1TP53POLB
SCHEMBL22978601 0.82 MAPT (0.47) KMT2AMAPTTDP1TP53POLB
SCHEMBL16796444 0.79
SCHEMBL19635920 0.78 MAPT (0.48) KMT2AMAPTTDP1TP53POLB
SCHEMBL16807367 0.77 KMT2A (0.38) KMT2AMAPTTDP1TP53POLB
SCHEMBL7218733 0.77 ALDH1A1 (0.45) KMT2APOLBGAAMEN1ALDH1A1
SCHEMBL16082701 0.76 KDM4E (0.43) KMT2ATP53POLBGAAALDH1A1
SCHEMBL16807019 0.74 KMT2A (0.41) KMT2ATP53POLBGAAMEN1

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
US-20210214364-A1 sGC STIMULATORS CYCLERION THERAPEUTICS INC (US) 2021-07-15 US disclosed
US-20210214364-A1 sGC STIMULATORS CYCLERION THERAPEUTICS INC (US) 2021-07-15 US disclosed
EP-3092231-B1 SGC STIMULATORS IRONWOOD PHARMACEUTICALS INC (US) 2018-06-27 EP disclosed
EP-3092231-B1 SGC STIMULATORS IRONWOOD PHARMACEUTICALS INC (US) 2018-06-27 EP disclosed
US-20160311826-A1 SGC STIMULATORS CYCLERION THERAPEUTICS, INC. 2016-10-27 US disclosed
US-20160311826-A1 SGC STIMULATORS CYCLERION THERAPEUTICS, INC. 2016-10-27 US disclosed
US-20160311826-A1 SGC STIMULATORS CYCLERION THERAPEUTICS, INC. 2016-10-27 US disclosed
WO-2015089182-A1 SGC STIMULATORS IRONWOOD PHARMACEUTICALS, INC. (US) 2015-06-18 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-20160311826-A1 SGC STIMULATORS GUCY1A1, GUCY1B1, GUCY1A2 KMT2A 3344/4885MAPT 4863/4885TDP1 1261/4885
US-20210214364-A1 sGC STIMULATORS GUCY1B1, GUCY1A1, GUCY1B2 KMT2A 3053/4885MAPT 4869/4885TDP1 1715/4885

“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.