Sugi Predict

Sugi Predict / Compounds / SCHEMBL876142

SCHEMBL876142

SCHEMBL876142

O=[C]CCc1ccccc1[N+](=O)[O-]

nearest known ligand 0.58

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 6/20 0.58
▸ TSHR P16473 1/20 0.58
▸ HPGD P15428 1/20 0.58
▸ HTT P42858 1/20 0.45
▸ SIGMAR1 Q99720 2/20 0.44
▸ L3MBTL1 Q9Y468 1/20 0.44
▸ HSD17B10 Q99714 1/20 0.44
▸ NPC1 O15118 2/20 0.43
▸ RAB9A P51151 2/20 0.43
▸ ACHE P22303 1/20 0.43
▸ RECQL P46063 1/20 0.43
▸ TDP1 Q9NUW8 1/20 0.42
▸ CYP3A4 P08684 1/20 0.42
▸ CYP2D6 P10635 1/20 0.42
▸ CYP2C19 P33261 1/20 0.42
▸ SMN1; SMN2 Q16637 1/20 0.42
▸ ALDH3A1 P30838 1/20 0.42

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
SCHEMBL3237701 0.89 ALDH1A1 (0.55) ALDH1A1TSHRHPGDHTTSIGMAR1
SCHEMBL10523069 0.87 ALDH1A1 (0.53) ALDH1A1TSHRHPGDHTTSIGMAR1
SCHEMBL3202573 0.83 ALDH1A1 (0.72) ALDH1A1TSHRHPGDHTTSIGMAR1
SCHEMBL8334178 0.83 ALDH1A1 (0.71) ALDH1A1TSHRHPGDHTTSIGMAR1
SCHEMBL313581 0.82 ALDH1A1 (0.70) ALDH1A1TSHRHPGDHTTL3MBTL1
SCHEMBL249845 0.78 ALDH1A1 (0.64) ALDH1A1TSHRHPGDHTTSIGMAR1
SCHEMBL301933 0.77 ALDH1A1 (0.69) ALDH1A1TSHRHPGDHTTL3MBTL1
SCHEMBL1967926 0.77 ALDH1A1 (0.53) ALDH1A1TSHRHPGDHTTSIGMAR1
SCHEMBL11196835 0.77 CYP1A2 (0.57) ALDH1A1TSHRHPGDHSD17B10TDP1
SCHEMBL2214742 0.77 ALDH1A1 (0.67) ALDH1A1TSHRHPGDHTTSIGMAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11999757-B2 Synthesis of boronate ester derivatives and uses thereof MELINTA SUBSIDIARY CORP. (US) 2024-06-04 — — US disclosed
US-11975110-B2 Cationic polymers TRANSLATE BIO, INC. (US) 2024-05-07 — — US disclosed
EP-4356736-A2 SYNTHESIS OF BORONATE SALTS Melinta Therapeutics, Inc. (US) 2024-04-24 — — EP disclosed
EP-3604316-B1 SYNTHESIS OF BORONATE SALTS MELINTA THERAPEUTICS INC (US) 2023-12-06 — — EP disclosed
CN-110650954-B anticancer compounds 法马马有限公司 2023-11-03 — — CN disclosed
US-20210113483-A1 Cationic Polymers TRANSLATE BIO, INC. 2021-04-22 — — US disclosed
EP-3746496-A1 CATIONIC POLYMERS Translate Bio, Inc. (US) 2020-12-09 — — EP disclosed
US-20200308197-A1 SYNTHESIS OF BORONATE ESTER DERIVATIVES AND USES THEREOF MELINTA SUBSIDIARY CORP. 2020-10-01 — — US disclosed
EP-3704130-A1 SYNTHESIS OF BORONATE ESTER DERIVATIVES AND USES THEREOF Melinta Therapeutics, Inc. (US) 2020-09-09 — — EP disclosed
US-10669292-B2 Synthesis of boronate salts and uses thereof REMPEX PHARMACEUTICALS, INC. (US) 2020-06-02 — — US disclosed
WO-2004100960-A2 ANTI-INFLAMMATORY PHOSPHONATE COMPOUNDS GILEAD SCIENCES, INC. (US) 2004-11-25 — — WO disclosed
WO-2004096233-A2 NUCLEOSIDE PHOSPHONATE CONJUGATES GILEAD SCIENCES, INC. (US) 2004-11-11 — — WO disclosed
WO-2004096237-A2 PHOSPHONATE ANALOGS FOR TREATING METABOLIC DISEASES GILEAD SCIENCES, INC. (US) 2004-11-11 — — WO disclosed
EP-0742790-A4 SUBSTITUTED PURINES AND OLIGONUCLEOTIDE CROSS-LINKING ISIS PHARMACEUTICALS INC (US) 1998-05-06 — — EP disclosed
EP-0742790-A1 SUBSTITUTED PURINES AND OLIGONUCLEOTIDE CROSS-LINKING ISIS PHARMACEUTICALS, INC. (US) 1996-11-20 — — EP disclosed
EP-0635023-A4 COVALENTLY CROSS-LINKED OLIGONUCLEOTIDES. ISIS PHARMACEUTICALS INC (US) 1996-03-20 — — EP disclosed
WO-1995021184-A1 SUBSTITUTED PURINES AND OLIGONUCLEOTIDE CROSS-LINKING ISIS PHARMACEUTICALS, INC. (US) 1995-08-10 — — WO disclosed
EP-0635023-A1 COVALENTLY CROSS-LINKED OLIGONUCLEOTIDES ISIS PHARMACEUTICALS, INC. (US) 1995-01-25 — — EP disclosed
WO-1993018052-A1 COVALENTLY CROSS-LINKED OLIGONUCLEOTIDES ISIS PHARMACEUTICALS, INC. (US) 1993-09-16 — — WO disclosed
US-3941781-A Preparation of 3-alkylthiomethyl cephalosporins ELI LILLY AND COMPANY (US) 1976-03-02 — — 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 (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-20210113483-A1 Cationic Polymers NSUN3, RNMT, POLRMT ALDH1A1 3420/4885TSHR 3769/4885HPGD 3663/4885
US-11999757-B2 Synthesis of boronate ester derivatives and uses thereof ADH5, ADH1A, ADH7 ALDH1A1 69/4885TSHR 2507/4885HPGD 219/4885
US-11975110-B2 Cationic polymers NSUN3, RNMT, POLRMT ALDH1A1 3420/4885TSHR 3769/4885HPGD 3663/4885
US-10669292-B2 Synthesis of boronate salts and uses thereof BTD, BCL6B, BRI3BP ALDH1A1 3175/4885TSHR 3061/4885HPGD 1931/4885
US-20200308197-A1 SYNTHESIS OF BORONATE ESTER DERIVATIVES AND USES THEREOF ADH5, ADH1A, ADH7 ALDH1A1 69/4885TSHR 2507/4885HPGD 219/4885

“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.