Sugi Predict

Sugi Predict / Compounds / SCHEMBL2528679

SCHEMBL2528679

SCHEMBL2528679

CC(C)OCCCCCC[O]

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 4/20 0.38
▸ TSHR P16473 1/20 0.33
▸ L3MBTL1 Q9Y468 1/20 0.33
▸ DNM1 Q05193 1/20 0.32
▸ DEGS1 O15121 1/20 0.32
▸ SMN1; SMN2 Q16637 3/20 0.31
▸ LMNA P02545 2/20 0.31
▸ HTT P42858 1/20 0.31
▸ KDM4E B2RXH2 1/20 0.31
▸ GAA P10253 1/20 0.31
▸ KMT2A Q03164 1/20 0.31
▸ MAPT P10636 1/20 0.31
▸ MAPK1 P28482 1/20 0.31
▸ CASP3 P42574 1/20 0.31
▸ BLM P54132 1/20 0.31
▸ NPSR1 Q6W5P4 1/20 0.31
▸ SENP8 Q96LD8 1/20 0.31
▸ SENP7 Q9BQF6 1/20 0.31
▸ SENP6 Q9GZR1 1/20 0.31
▸ TDP1 Q9NUW8 1/20 0.31

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
SCHEMBL2532520 1.00 ALDH1A1 (0.38) ALDH1A1TSHRL3MBTL1DNM1DEGS1
SCHEMBL718816 0.97 — —
SCHEMBL425332 0.89 — —
SCHEMBL6668013 0.87 ALDH1A1 (0.39) ALDH1A1
SCHEMBL13864131 0.86 ALDH1A1 (0.40) ALDH1A1TSHRL3MBTL1DNM1DEGS1
SCHEMBL5163869 0.86 ALDH1A1 (0.40) ALDH1A1TSHRL3MBTL1DNM1DEGS1
SCHEMBL5159311 0.86 ALDH1A1 (0.40) ALDH1A1TSHRL3MBTL1DNM1DEGS1
SCHEMBL11030766 0.86 ALDH1A1 (0.40) ALDH1A1TSHRL3MBTL1DNM1DEGS1
SCHEMBL4609242 0.83 ALDH1A1 (0.41) ALDH1A1TSHRL3MBTL1DNM1DEGS1
SCHEMBL7422691 0.80 ALDH1A1 (0.36) ALDH1A1TSHRL3MBTL1

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 45 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8461135-B2 Boron-containing small molecules as anti-inflammatory agents ANACOR PHARMACEUTICALS, INC. (US) 2013-06-11 — — US claimed
US-8039450-B2 Boron-containing small molecules as anti-inflammatory agents ANACOR PHARMACEUTICALS, INC. (US) 2011-10-18 — — US claimed
US-10130633-B2 Compounds BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2018-11-20 — — US disclosed
US-20180042931-A1 N-PHENYL-(MORPHOLIN-4-YL OR PIPERAZINYL)ACETAMIDE DERIVATIVES AND THEIR USE AS INHIBITORS OF THE WNT SIGNALLING PATHWAYS BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2018-02-15 — — US disclosed
US-20180044306-A1 1,3,4-THIADIAZOL-2-YL-BENZAMIDE DERIVATIVES AS INHIBITORS OF THE WNT SIGNALLING PATHWAY BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2018-02-15 — — US disclosed
US-20180028507-A1 3-CARBAMOYLPHENYL-4-CARBOXAMIDE AND ISOPHTALAMIDE DERIVATIVES AS INHIBITORS OF THE WNT SIGNALLING PATHWAY BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2018-02-01 — — US disclosed
EP-3259268-A1 1,3,4-THIADIAZOL-2-YL-BENZAMIDE DERIVATIVES AS INHIBITORSOF THE WNT SIGNALLING PATHWAY Bayer Pharma Aktiengesellschaft (DE) 2017-12-27 — — EP disclosed
EP-3259251-A1 N-PHENYL-(MORPHOLIN-4-YL OR PIPERAZINYL)ACETAMIDE DERIVATIVES AND THEIR USE AS INHIBITORS OF THE WNT SIGNALLING PATHWAYS Bayer Pharma Aktiengesellschaft (DE) 2017-12-27 — — EP disclosed
EP-3259263-A1 3-CARBAMOYLPHENYL-4-CARBOXAMIDE AND ISOPHTALAMIDE DERIVATIVES AS INHIBITORS OF THE WNT SIGNALLING PATHWAY Bayer Pharma Aktiengesellschaft (DE) 2017-12-27 — — EP disclosed
EP-2976327-B1 3-ACETYLAMINO-1-(PHENYL-HETEROARYL-AMINOCARBONYL OR PHENYL-HETEROARYL-CARBONYLAMINO)BENZENE DERIVATIVES FOR THE TREATMENT OF HYPERPROLIFERATIVE DISORDERS Bayer Pharma AG (DE) 2017-06-21 — — EP disclosed
US-20170114070-A1 INHIBITORS OF THE WNT SIGNALLING PATHWAYS BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2017-04-27 — — US disclosed
EP-0835248-B1 1-AMINO-3-BENZYLURACILS BASF AG (DE) 2001-02-21 — — EP disclosed
US-6174887-B1 Amide compounds and use of the same JAPAN TOBACCO INC. (JP) 2001-01-16 — — US disclosed
US-6150303-A Substituted 3-phenylisoxazolines BASF AKTIENGESELLSCHAFT (DE) 2000-11-21 — — US disclosed
EP-0891336-A1 SUBSTITUTED 1-METHYL-3-BENZYLURACILS BASF AKTIENGESELLSCHAFT (DE) 1999-01-20 — — EP disclosed
CN-1189824-A 1-amino-3-benzyluracils BASF AG (DE) 1998-08-05 — — CN disclosed
EP-0849256-A1 AMIDE COMPOUNDS AND USE OF THE SAME Japan Tobacco Inc. (JP) 1998-06-24 — — EP disclosed
EP-0835248-A1 1-AMINO-3-BENZYLURACILS BASF AKTIENGESELLSCHAFT (DE) 1998-04-15 — — EP disclosed
WO-1997035845-A1 SUBSTITUTED 1-METHYL-3-BENZYLURACILS BASF AKTIENGESELLSCHAFT (DE) 1997-10-02 — — WO disclosed
WO-1997001543-A1 1-AMINO-3-BENZYLURACILS BASF AKTIENGESELLSCHAFT (DE) 1997-01-16 — — 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 (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-20170114070-A1 INHIBITORS OF THE WNT SIGNALLING PATHWAYS WNT1, WNT3A, CTNNB1 ALDH1A1 2475/4885TSHR 4484/4885L3MBTL1 3703/4885
US-20180044306-A1 1,3,4-THIADIAZOL-2-YL-BENZAMIDE DERIVATIVES AS INHIBITORS OF THE WNT SIGNALLING PATHWAY WNT1, CTNND1, CTNNB1 ALDH1A1 1023/4885TSHR 3993/4885L3MBTL1 2721/4885
US-20180028507-A1 3-CARBAMOYLPHENYL-4-CARBOXAMIDE AND ISOPHTALAMIDE DERIVATIVES AS INHIBITORS OF THE WNT SIGNALLING PATHWAY WNT1, WNT3A, WNT3 ALDH1A1 1905/4885TSHR 4353/4885L3MBTL1 3227/4885
US-10130633-B2 Compounds AADAC, NAT1, CBR3 ALDH1A1 277/4885TSHR 2036/4885L3MBTL1 1307/4885
US-20180042931-A1 N-PHENYL-(MORPHOLIN-4-YL OR PIPERAZINYL)ACETAMIDE DERIVATIVES AND THEIR USE AS INHIBITORS OF THE WNT SIGNALLING PATHWAYS WNT3, WNT3A, WNT1 ALDH1A1 1585/4885TSHR 1995/4885L3MBTL1 2607/4885

“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.