SCHEMBL5550274

SCHEMBL5550274

Cc1ccc(OCCO)cc1N

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 2/20 0.45
SLC6A4 P31645 2/20 0.45
SLC6A3 Q01959 1/20 0.45
NR1I2 O75469 1/20 0.44
ALDH1A1 P00352 4/20 0.44
RECQL P46063 1/20 0.44
SMN1; SMN2 Q16637 2/20 0.42
KDM4E B2RXH2 1/20 0.42
CASP1 P29466 2/20 0.42
TDP1 Q9NUW8 2/20 0.42
CASP7 P55210 1/20 0.41
HSD17B10 Q99714 1/20 0.41
CA12 O43570 1/20 0.41
CA1 P00915 1/20 0.41
CA9 Q16790 1/20 0.41
MAOA P21397 1/20 0.41
CYP3A4 P08684 2/20 0.41
MAPT P10636 2/20 0.41
MCL1 Q07820 1/20 0.40
PDIA6 Q15084 1/20 0.40

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
SCHEMBL29502972 1.00 SLC6A2 (0.45) SLC6A2SLC6A4SLC6A3NR1I2ALDH1A1
SCHEMBL5453470 0.85 ALDH1A1 (0.47) SLC6A2SLC6A4SLC6A3NR1I2ALDH1A1
Hydrochloric Acid SCHEMBL7447137 0.84 ALDH1A1 (0.45) SLC6A2SLC6A4SLC6A3NR1I2ALDH1A1
SCHEMBL4227827 0.83 MAPT (0.57) ALDH1A1SMN1; SMN2KDM4ECASP1TDP1
SCHEMBL586116 0.82 DRD2 (0.51) NR1I2ALDH1A1RECQLSMN1; SMN2KDM4E
SCHEMBL15157136 0.82 NR4A1 (0.52) SLC6A2SLC6A4SLC6A3NR1I2ALDH1A1
SCHEMBL20558448 0.81 ALDH1A1 (0.45) ALDH1A1KDM4ECASP1TDP1CASP7
SCHEMBL6829506 0.79 PRSS1 (0.47) SLC6A2SLC6A4SLC6A3NR1I2ALDH1A1
SCHEMBL8258110 0.79 MRGPRX4 (0.49) SLC6A2SLC6A4NR1I2ALDH1A1RECQL
SCHEMBL4647002 0.79 NR1I2 (0.46) NR1I2ALDH1A1RECQLSMN1; SMN2CASP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220227739-A1 COMPOUNDS, COMPOSITIONS, AND METHODS FOR MODULATING CFTR PROTEOSTASIS THERAPEUTICS INC (US) 2022-07-21 US disclosed
CN-108430994-B Compounds, compositions and methods for modulating CFTR 蛋白质平衡治疗股份有限公司 2022-04-12 CN disclosed
US-11136313-B2 Compounds, compositions, and methods for modulating CFTR PROTEOSTASIS THERAPEUTICS, INC. (US) 2021-10-05 US disclosed
EP-3359536-B1 COMPOUNDS, COMPOSITIONS, AND METHODS FOR MODULATING CFTR PROTEOSTASIS THERAPEUTICS INC (US) 2021-08-04 EP disclosed
US-20200385365-A1 COMPOUNDS, COMPOSITIONS, AND METHODS FOR MODULATING CFTR PROTEOSTASIS THERAPEUTICS, INC. 2020-12-10 US disclosed
US-10550106-B2 Compounds, compositions, and methods for modulating CFTR PROTEOSTASIS THERAPEUTICS, INC. (US) 2020-02-04 US disclosed
US-20180291006-A1 COMPOUNDS, COMPOSITIONS, AND METHODS FOR MODULATING CFTR PROTEOSTASIS THERAPEUTICS, INC. 2018-10-11 US disclosed
WO-2017062581-A1 COMPOUNDS, COMPOSITIONS, AND METHODS FOR MODULATING CFTR PROTEOSTASIS THERAPEUTICS, INC. (US) 2017-04-13 WO disclosed
EP-1764360-A1 UREA DERIVATIVE Sankyo Company, Limited (JP) 2007-03-21 EP disclosed
US-4749784-A Alkanol substituted disazo orange dye for nylon CROMPTON & KNOWLES CORPORATION (US) 1988-06-07 US disclosed
EP-0194377-A2 Disazo orange dyes for nylon CROMPTON & KNOWLES CORPORATION (US) 1986-09-17 EP 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 (5 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-11136313-B2 Compounds, compositions, and methods for modulating CFTR CFTR, SCNN1B, SCNN1G SLC6A2 3198/4885SLC6A4 2030/4885SLC6A3 2326/4885
US-20200385365-A1 COMPOUNDS, COMPOSITIONS, AND METHODS FOR MODULATING CFTR CFTR, SCNN1B, SCNN1G SLC6A2 3198/4885SLC6A4 2030/4885SLC6A3 2326/4885
US-20220227739-A1 COMPOUNDS, COMPOSITIONS, AND METHODS FOR MODULATING CFTR CFTR, SCNN1B, SCNN1G SLC6A2 3198/4885SLC6A4 2030/4885SLC6A3 2326/4885
US-10550106-B2 Compounds, compositions, and methods for modulating CFTR CFTR, SCNN1B, SCNN1G SLC6A2 3198/4885SLC6A4 2030/4885SLC6A3 2326/4885
US-20180291006-A1 COMPOUNDS, COMPOSITIONS, AND METHODS FOR MODULATING CFTR CFTR, SCNN1B, SCNN1G SLC6A2 3198/4885SLC6A4 2030/4885SLC6A3 2326/4885

“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.