Sugi Predict

Sugi Predict / Compounds / SCHEMBL1123484

SCHEMBL1123484

SCHEMBL1123484

CC(C)c1cc(C(C)C)c(S(=O)(=O)n2cnc([N+](=O)[O-])n2)c(C(C)C)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ FABP4 P15090 5/20 0.47
▸ ALDH1A1 P00352 3/20 0.42
▸ PIK3CD O00329 1/20 0.42
▸ PIK3CA P42336 1/20 0.42
▸ PIK3CB P42338 1/20 0.42
▸ PIK3CG P48736 1/20 0.42
▸ FABP3 P05413 1/20 0.41
▸ FABP5 Q01469 1/20 0.41
▸ PSEN1 P49768 2/20 0.35
▸ PSEN2 P49810 2/20 0.35
▸ APH1B Q8WW43 2/20 0.35
▸ NCSTN Q92542 2/20 0.35
▸ APH1A Q96BI3 2/20 0.35
▸ PSENEN Q9NZ42 2/20 0.35
▸ CYP2C9 P11712 1/20 0.34
▸ CYP2C19 P33261 1/20 0.34
▸ TDP1 Q9NUW8 1/20 0.33
▸ EPHX2 P34913 1/20 0.33
▸ GAA P10253 1/20 0.33
▸ HPGD P15428 1/20 0.33

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
SCHEMBL27870034 0.72 KDM4E (0.43) ALDH1A1CYP2C9CYP2C19GAAMCOLN3
SCHEMBL30614582 0.71 HTT (0.43) ALDH1A1CYP2C9CYP2C19MITFALPL
SCHEMBL1123625 0.70 KMT2A (0.43) ALDH1A1POLBMAPTHTTSMN1; SMN2
SCHEMBL5694151 0.70 FABP4 (0.54) FABP4ALDH1A1PIK3CDPIK3CAPIK3CB
SCHEMBL5686154 0.70 FABP4 (0.57) FABP4ALDH1A1PIK3CDPIK3CAPIK3CB
SCHEMBL23927524 0.69 FABP4 (0.41) FABP4ALDH1A1FABP3FABP5PSEN1
SCHEMBL27920672 0.69 FABP4 (0.69) FABP4ALDH1A1GAAHPGDNPSR1
SCHEMBL27995168 0.69 FABP4 (0.59) FABP4ALDH1A1GAAHPGDNPSR1
SCHEMBL10718710 0.68 FABP4 (0.51) FABP4ALDH1A1PIK3CDPIK3CAPIK3CB
SCHEMBL9498378 0.67 FABP4 (0.57) FABP4ALDH1A1PIK3CDPIK3CAPIK3CB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1712601-B1 Phase change inks XEROX CORP (US) 2010-07-28 — — EP claimed
EP-1263773-A4 OLIGONUCLEOTIDE ANALOGUES, METHODS OF SYNTHESIS AND METHODS OF USE ACTIVE MOTIF (US) 2005-08-31 — — EP claimed
EP-1263773-A1 OLIGONUCLEOTIDE ANALOGUES, METHODS OF SYNTHESIS AND METHODS OF USE Active Motif (US) 2002-12-11 — — EP claimed
US-20020155989-A1 Oligonucleotide analogues, methods of synthesis and methods of use ACTIVE MOTIF 2002-10-24 — — US claimed
WO-2001068673-A1 OLIGONUCLEOTIDE ANALOGUES, METHODS OF SYNTHESIS AND METHODS OF USE ACTIVE MOTIF (US) 2001-09-20 — — WO claimed
US-5358961-A Hypotensive agents JIN RO LIMITED (KR) 1994-10-25 — — US claimed
WO-1993011136-A1 NEW PYRROLIDINE DERIVATIVES JIN RO LIMITED (KR) 1993-06-10 — — WO claimed
US-20230123981-A1 4'-O-METHYLENE PHOSPHONATE NUCLEIC ACIDS AND ANALOGUES THEREOF NOVO NORDISK A/S (DK) 2023-04-20 — — US disclosed
CN-115298192-A 4' -O-methylene phosphonate nucleic acids and analogs thereof 迪克纳制药公司 2022-11-04 — — CN disclosed
US-20220281910-A1 DINUCLEOTIDE COMPOUNDS FOR TREATING CANCERS AND MEDICAL USES THEREOF PINOTBIO, INC. (KR) 2022-09-08 — — US disclosed
EP-4004013-A1 DINUCLEOTIDE COMPOUNDS FOR TREATING CANCERS AND MEDICAL USES THEREOF Pinotbio, Inc. (KR) 2022-06-01 — — EP disclosed
CN-114341149-A Dinucleotide compounds for treating cancer and medical uses thereof 匹诺生物股份有限公司 2022-04-12 — — CN disclosed
WO-2021146488-A1 4'-O-METHYLENE PHOSPHONATE NUCLEIC ACIDS AND ANALOGUES THEREOF DICERNA PHARMACEUTICALS, INC. (US) 2021-07-22 — — WO disclosed
EP-0132308-A1 Biosynthetic 2,5-diketogluconic acid reductase, processes, recombinant cells and expression vectors for its production, and its use in preparing 2-keto-L-gulonic acid GENENTECH, INC. (US) 1985-01-30 — — EP disclosed
EP-0103677-A1 Process for the sequence analysis by mass spectroscopy of a, if necessary modified oligoribonucleotide or oligodesoxyribonucleotide Gesellschaft für Biotechnologische Forschung mbH (GBF) (DE) 1984-03-28 — — EP disclosed
US-4426517-A Process for de-cyanoethylating blocked nucleotides ELI LILLY AND COMPANY (US) 1984-01-17 — — US disclosed
US-4419509-A Process for de-cyanoethylating blocked nucleotides ELI LILLY AND COMPANY (US) 1983-12-06 — — US disclosed
US-4417046-A Process for isolating oligonucleotide product from a coupling reaction mixture ELI LILLY AND COMPANY (US) 1983-11-22 — — US disclosed
EP-0075392-A1 Process for de-cyanoethylating blocked nucleotides ELI LILLY AND COMPANY (US) 1983-03-30 — — EP disclosed
EP-0054330-A2 DNA sequences encoding various allelic forms of mature thaumatin, recombinant plasmids comprising said DNA's and a process for their preparation, bacterial cultures comprising said recombinant plasmids, and method for producing mature thaumatin UNILEVER N.V. (NL) 1982-06-23 — — 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 (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-20020155989-A1 Oligonucleotide analogues, methods of synthesis and methods of use HIRA, PHAX, SSU72 FABP4 4019/4885ALDH1A1 2402/4885PIK3CD 3754/4885
US-20220281910-A1 DINUCLEOTIDE COMPOUNDS FOR TREATING CANCERS AND MEDICAL USES THEREOF NTPCR, NSUN2, DPYD FABP4 4171/4885ALDH1A1 1528/4885PIK3CD 1087/4885

“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.