SCHEMBL8437271

SCHEMBL8437271

CCCS(=O)(=O)ON1CCN(CCO)CC1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.37
KDM4E B2RXH2 1/20 0.35
RXFP1 Q9HBX9 1/20 0.35
KMT2A Q03164 3/20 0.34
GAA P10253 2/20 0.34
TP53 P04637 2/20 0.34
MEN1 O00255 2/20 0.34
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34
CHRM2 P08172 1/20 0.33
CHRM1 P11229 1/20 0.33
CYP2C19 P33261 2/20 0.31
LMNA P02545 2/20 0.31
HTT P42858 2/20 0.31
CA12 O43570 1/20 0.31
CA1 P00915 1/20 0.31
CA2 P00918 1/20 0.31
CA9 Q16790 1/20 0.31
HSD11B1 P28845 1/20 0.30
CYP3A4 P08684 1/20 0.30

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
SCHEMBL3482961 0.88 ALDH1A1 (0.40) ALDH1A1KDM4EKMT2AGAATP53
SCHEMBL28463231 0.84 L3MBTL1 (0.33) ALDH1A1KDM4ELMNA
SCHEMBL28519204 0.82 L3MBTL1 (0.32)
SCHEMBL20504314 0.81 ALDH1A1 (0.38) ALDH1A1KDM4ERXFP1KMT2AGAA
SCHEMBL27970356 0.76 L3MBTL1 (0.31)
SCHEMBL4434695 0.74 L3MBTL1 (0.33) GAACA1CA2
SCHEMBL7646127 0.74 SIGMAR1 (0.34) ALDH1A1GAALMNA
SCHEMBL20504316 0.74 ALDH1A1 (0.40) ALDH1A1KDM4ERXFP1KMT2AGAA
SCHEMBL12801182 0.74 KDM4E (0.47) ALDH1A1KDM4EGAACYP2C19LMNA
Alcohol SCHEMBL7566185 0.73 ALDH1A1 (0.41) ALDH1A1KDM4ERXFP1KMT2AGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4423103-A1 DNA-ENCODED AND AFFINITY-TAGGED MASKED-WARHEAD COMPOUNDS AND USE THEREOF IN ASSEMBLING LIBRARIES OF SMALL MOLECULES ENABLED FOR LATE-STAGE PURIFICATION AND MULTIPLEXED SCREENING OF COVALENT LIGANDS Maianti, Juan Pablo (US) 2024-09-04 EP disclosed
US-20230407293-A1 DNA-ENCODED AND AFFINITY-TAGGED MASKED-WARHEAD COMPOUNDS AND USE THEREOF IN ASSEMBLING LIBRARIES OF SMALL MOLECULES ENABLED FOR LATE-STAGE PURIFICATION AND MULTIPLEXED SCREENING OF COVALENT LIGANDS MAIANTI JUAN PABLO (US) 2023-12-21 US disclosed
WO-2023077001-A1 DNA-ENCODED AND AFFINITY-TAGGED MASKED-WARHEAD COMPOUNDS AND USE THEREOF IN ASSEMBLING LIBRARIES OF SMALL MOLECULES ENABLED FOR LATE-STAGE PURIFICATION AND MULTIPLEXED SCREENING OF COVALENT LIGANDS MAIANTI JUAN PABLO (US) 2023-05-04 WO disclosed
CN-101754990-A Water-dispersible polyisocyanates BASF SE 2010-06-23 CN disclosed
US-5885788-A CONDUCTING THE MEASUREMENT OF CHOLESTEROL IN THE PRESENCE OF AN AMPHOTERIC SURFACTANT AND AN ALIPHATIC AMINE CONTAINING CARBOXYL GROUPS(S) OR SULFONIC ACID GROUP(S) WAKO PURE CHEMICAL INDUSTRIES, LTD. (JP) 1999-03-23 US disclosed
US-5814472-A REACTING LIVING SAMPLE WITH CHOLESTEROL OXIDASE OR CHOLESTEROL DEHYDROGENASE IN PRESENCE OF AMPHOTERIC SURFACTANT AND CYCLODEXTRIN WAKO PURE CHEMICAL INDUSTRIES, LTD. (JP) 1998-09-29 US disclosed
US-5790627-A Method and apparatus for observing a specimen using an X-ray microscope RESEARCH DEVELOPMENT CORP. (JP) 1998-08-04 US 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 (1 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-20230407293-A1 DNA-ENCODED AND AFFINITY-TAGGED MASKED-WARHEAD COMPOUNDS AND USE THEREOF IN ASSEMBLING LIBRARIES OF SMALL MOLECULES ENABLED FOR LATE-STAGE PURIFICATION AND MULTIPLEXED SCREENING OF COVALENT LIGANDS DNA2, WRN, DCLRE1A ALDH1A1 2197/4885KDM4E 2219/4885RXFP1 4816/4885

“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.