SCHEMBL20757

SCHEMBL20757

CCc1ccc(C(=O)O)cc1[N+](=O)[O-]

nearest known ligand 0.68

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PDK1 Q15118 1/20 0.68
CASP6 P55212 1/20 0.66
TSHR P16473 2/20 0.65
HCAR3 P49019 12/20 0.63
LMNA P02545 1/20 0.60
KMT2A Q03164 1/20 0.58
APEX1 P27695 1/20 0.55

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
SCHEMBL6180268 0.90 HCAR3 (0.64) PDK1CASP6TSHRHCAR3LMNA
SCHEMBL27487118 0.87 HCAR3 (0.63) PDK1CASP6TSHRHCAR3LMNA
SCHEMBL6341472 0.86 CASP6 (0.66) PDK1CASP6TSHRHCAR3LMNA
SCHEMBL30481076 0.86 CASP6 (0.66) PDK1CASP6TSHRHCAR3LMNA
SCHEMBL1483517 0.86 CASP6 (0.66) PDK1CASP6TSHRHCAR3LMNA
SCHEMBL4173251 0.86 PDK1 (0.68) PDK1CASP6TSHRHCAR3LMNA
SCHEMBL1609806 0.86 CASP6 (0.66) CASP6TSHRHCAR3LMNAKMT2A
SCHEMBL8215974 0.86 HCAR3 (0.64) PDK1CASP6TSHRHCAR3LMNA
SCHEMBL29724683 0.85 CASP6 (0.60) PDK1CASP6TSHRHCAR3LMNA
SCHEMBL19643040 0.85 CASP6 (0.60) PDK1CASP6TSHRHCAR3LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2609107-B1 BLOCK SYNTHESIS OF OLIGORIBONUCLEOTIDES THE ROYAL INSTITUTION FOR THE ADVANCEMENT OF LEARNING / MCGILL UNIV (CA) 2024-12-11 EP disclosed
CN-111132972-B Small molecule modulators of human STING 克拉德夫制药有限公司 2024-07-12 CN disclosed
CN-117138056-A Application of polymer carrier for cytosolic delivery in preparation of medicines for treating diseases 哈工大郑州研究院 2023-12-01 CN disclosed
CN-116836089-A Compound for cytosolic delivery and preparation method thereof 哈工大郑州研究院 2023-10-03 CN disclosed
US-11571423-B2 Small molecule modulators of human sting CURADEV PHARMA LIMITED (GB) 2023-02-07 US disclosed
EP-3642198-B1 SMALL MOLECULE MODULATORS OF HUMAN STING CURADEV PHARMA LTD (GB) 2022-03-16 EP disclosed
US-20210300954-A1 IONIC TAGS FOR SYNTHESIS OF OLIGORIBONUCLEOTIDES THE ROYAL INSTITUTION FOR THE ADVANCEMENT OF LEARNING/MCGILL UNIV (CA) 2021-09-30 US disclosed
US-20210300954-A1 IONIC TAGS FOR SYNTHESIS OF OLIGORIBONUCLEOTIDES THE ROYAL INSTITUTION FOR THE ADVANCEMENT OF LEARNING/MCGILL UNIV (CA) 2021-09-30 US disclosed
CN-103889999-B Ion labeling for oligoribonucleotide synthesis 皇家学习促进学会/麦吉尔大学 2021-06-01 CN disclosed
US-11014948-B2 Ionic tags for synthesis of oligoribonucleotides THE ROYAL INSTITUTION FOR THE ADVANCEMENT OF LEARNING/MCGILL UNIVERSITY (CA) 2021-05-25 US disclosed
WO-2004074300-A2 NOVEL PHOTOLABILE PROTECTIVE GROUPS FOR IMPROVED PROCESSES TO PREPARE OLIGONUCLEOTIDE ARRAYS NIGU CHEMIE GMBH (DE) 2004-09-02 WO disclosed
WO-2004046107-A1 INDOLE DERIVATIVES AS SOMATOSTATIN AGONISTS OR ANTAGONISTS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2004-06-03 WO disclosed
US-6528528-B2 Inhibitors of 15-lipoxygenase, inhibiting chemotaxis of monocytes WARNER-LAMBERT COMPANY 2003-03-04 US disclosed
US-20020099212-A1 For therapy of disease treatable based on a blood sugar level-depressing activity or a disease treatable based on a cGMP-PDE inhibiting activity, smooth muscle relaxing activity, bronchodilating activity, vasodilating activity FUJISAWA PHARMACEUTICAL CO. LTD. (JP) 2002-07-25 US disclosed
US-6348474-B1 COMPOUNDS AS ANTIDIABETIC AGENTS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2002-02-19 US disclosed
US-20010031874-A1 Thiourea and benzamide compounds, compositions and methods of treating or preventing inflammatory diseases and atherosclerosis CONNOR DAVID THOMAS (US) 2001-10-18 US disclosed
US-6268387-B1 INHIBITORS OF THE ENZYME 15-LIPOXYGENASE AND ARE INHIBITORS OF MONOCYTE CHEMOTAXIS. WARNER-LAMBERT COMPANY 2001-07-31 US disclosed
EP-1042276-A1 THIOUREA COMPOUNDS, COMPOSITIONS AND METHODS OF TREATING OR PREVENTING INFLAMMATORY DISEASES AND ATHEROSCLEROSIS WARNER-LAMBERT COMPANY LLC (US) 2000-10-11 EP disclosed
EP-0995742-A1 SULFONAMIDE COMPOUNDS AND MEDICINAL USE THEREOF FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2000-04-26 EP disclosed
WO-1999032433-A1 THIOUREA AND BENZAMIDE COMPOUNDS, COMPOSITIONS AND METHODS OF TREATING OR PREVENTING INFLAMMATORY DISEASES AND ATHEROSCLEROSIS WARNER-LAMBERT COMPANY (US) 1999-07-01 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-11014948-B2 Ionic tags for synthesis of oligoribonucleotides RNGTT, OSTC, DTYMK PDK1 4069/4885CASP6 4720/4885TSHR 2662/4885
US-20020099212-A1 For therapy of disease treatable based on a blood sugar level-depressing activity or a disease treatable based on a cGMP-PDE inhibiting activity, smooth muscle relaxing activity, bronchodilating activity, vasodilating activity PDE2A, PDE3A, PDE12 PDK1 455/4885CASP6 4038/4885TSHR 587/4885
US-20010031874-A1 Thiourea and benzamide compounds, compositions and methods of treating or preventing inflammatory diseases and atherosclerosis TPMT, CTH, CBS PDK1 3311/4885CASP6 271/4885TSHR 901/4885
US-20210300954-A1 IONIC TAGS FOR SYNTHESIS OF OLIGORIBONUCLEOTIDES RNGTT, OSTC, DTYMK PDK1 4069/4885CASP6 4720/4885TSHR 2662/4885
US-11571423-B2 Small molecule modulators of human sting STING1, IRF3, CGAS PDK1 2868/4885CASP6 1301/4885TSHR 4175/4885

“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.