SCHEMBL4574283

SCHEMBL4574283

OCCNCc1cc(F)cc(F)c1F

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
USP28 Q96RU2 2/20 0.40
KMT2A Q03164 2/20 0.39
MEN1 O00255 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
RIPK1 Q13546 4/20 0.37
MAPK1 P28482 1/20 0.35
ALDH1A1 P00352 1/20 0.35
MPO P05164 2/20 0.35
SLC6A4 P31645 2/20 0.35
CYP1A2 P05177 1/20 0.35
CYP2D6 P10635 1/20 0.35
CYP2C9 P11712 1/20 0.35
USP25 Q9UHP3 1/20 0.34
CES2 O00748 1/20 0.34
CES1 P23141 1/20 0.34
GSR P00390 2/20 0.34
PDCD1LG2 Q9BQ51 3/20 0.34
CD274 Q9NZQ7 3/20 0.34

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
SCHEMBL29912778 1.00 USP28 (0.40) USP28KMT2AMEN1SMN1; SMN2RIPK1
SCHEMBL26541078 0.79 ALDH1A1 (0.38) USP28KMT2AMEN1SMN1; SMN2ALDH1A1
SCHEMBL2595400 0.78 ACHE (0.48) USP28KMT2AMEN1SMN1; SMN2ALDH1A1
SCHEMBL12640806 0.77 RIPK1 (0.40) RIPK1ALDH1A1SLC6A4CES2CES1
SCHEMBL29912873 0.77 RIPK1 (0.40) RIPK1ALDH1A1SLC6A4CES2CES1
SCHEMBL17882408 0.76 RIPK1 (0.41) RIPK1CES2CES1
SCHEMBL4574550 0.75 RIPK1 (0.42) RIPK1CES2CES1
SCHEMBL4336057 0.75 GSR (0.49) USP28KMT2AMEN1SMN1; SMN2ALDH1A1
SCHEMBL1967720 0.74 RIPK1 (0.42) RIPK1CES2CES1
SCHEMBL698821 0.73 RIPK1 (0.44) RIPK1CES2CES1

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
EP-3224237-B1 NECROSIS INHIBITORS NAT INSTITUTE OF BIOLOGICAL SCIENCES BEIJING (CN) 2024-09-11 EP disclosed
CN-115197098-B Cell necrosis inhibitor 北京生命科学研究所 2023-08-08 CN disclosed
CN-115197098-A Cell necrosis inhibitor 北京生命科学研究所 2022-10-18 CN disclosed
CN-107108467-B Cell necrosis inhibitor 北京生命科学研究所 2022-08-19 CN disclosed
US-10682319-B2 Necrosis inhibitors NATIONAL INSTITUTE OF BIOLOGICAL SCIENCES, BEIJING (CN) 2020-06-16 US disclosed
US-20180263934-A1 Necrosis Inhibitors NATIONAL INSTITUTE OF BIOLOGICAL SCIENCES, BEIJING (CN) 2018-09-20 US disclosed
US-9974762-B2 Necrosis inhibitors NATIONAL INSTITUTE OF BIOLOGICAL SCIENCES, BEIJING (CN) 2018-05-22 US disclosed
US-20170290790-A1 Necrosis Inhibitors NATIONAL INSTITUTE OF BIOLOGICAL SCIENCES, BEIJING (CN) 2017-10-12 US disclosed
CN-107108467-A cell necrosis inhibitor 北京生命科学研究所 2017-08-29 CN disclosed
WO-2008134035-A1 ALPHA-UNSUBSTITUTED ARYLMETHYL PIPERAZINE PYRAZOLO[1,5-A] PYRIMIDINE AMIDE DERIVATIVES PANACOS PHARMACEUTICALS, INC. (US) 2008-11-06 WO disclosed
WO-2008134035-A1 ALPHA-UNSUBSTITUTED ARYLMETHYL PIPERAZINE PYRAZOLO[1,5-A] PYRIMIDINE AMIDE DERIVATIVES PANACOS PHARMACEUTICALS, INC. (US) 2008-11-06 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 (3 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-10682319-B2 Necrosis inhibitors RIPK3, RIPK1, RIPK4 USP28 963/4885KMT2A 4194/4885MEN1 3176/4885
US-20170290790-A1 Necrosis Inhibitors RIPK3, RIPK1, RIPK4 USP28 1165/4885KMT2A 3654/4885MEN1 3275/4885
US-20180263934-A1 Necrosis Inhibitors RIPK3, RIPK1, RIPK4 USP28 963/4885KMT2A 4194/4885MEN1 3176/4885

“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.