SCHEMBL16807019

SCHEMBL16807019

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

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.41
GAA P10253 2/20 0.39
CYP1A2 P05177 1/20 0.37
ALDH1A1 P00352 3/20 0.37
KDM4E B2RXH2 2/20 0.37
HPGD P15428 2/20 0.37
POLB P06746 2/20 0.37
MLYCD O95822 1/20 0.36
TP53 P04637 2/20 0.36
HSD17B10 Q99714 1/20 0.36
JMJD6 Q6NYC1 1/20 0.36
ADORA3 P0DMS8 1/20 0.35
MEN1 O00255 1/20 0.35
CA12 O43570 1/20 0.35
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35
CA7 P43166 1/20 0.35
CA9 Q16790 1/20 0.35
CA14 Q9ULX7 1/20 0.35

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 0.90 KMT2A (0.42) KMT2AGAACYP1A2ALDH1A1KDM4E
SCHEMBL20388555 0.85 CYP1A2 (0.40) KMT2AGAACYP1A2ALDH1A1KDM4E
SCHEMBL16807367 0.82 KMT2A (0.38) KMT2AGAAALDH1A1KDM4EHPGD
SCHEMBL5556813 0.81 KMT2A (0.44) KMT2AGAACYP1A2ALDH1A1KDM4E
SCHEMBL5560879 0.79 CYP1A2 (0.46) KMT2AGAACYP1A2KDM4EPOLB
SCHEMBL17611617 0.79 GUCY1B2 (0.51) KMT2AGAAALDH1A1KDM4EHPGD
SCHEMBL360689 0.77 NR1H2 (0.43) KMT2AGAACYP1A2KDM4EPOLB
SCHEMBL31203827 0.76 SMN1; SMN2 (0.38) KMT2AGAAALDH1A1KDM4EHPGD
SCHEMBL5198486 0.75 MAPK1 (0.45) KMT2AGAACYP1A2ALDH1A1KDM4E
SCHEMBL9079745 0.74 NR1H2 (0.39) KMT2AGAACYP1A2ALDH1A1KDM4E

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 5 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
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
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 3344/4885GAA 2189/4885CYP1A2 2079/4885
US-20210214364-A1 sGC STIMULATORS GUCY1B1, GUCY1A1, GUCY1B2 KMT2A 3053/4885GAA 2479/4885CYP1A2 1601/4885

“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.