Sugi Predict

Sugi Predict / Compounds / SCHEMBL2953971

SCHEMBL2953971

SCHEMBL2953971

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

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PDK1 Q15118 1/20 0.62
▸ VCAM1 P19320 1/20 0.61
▸ KMT2A Q03164 3/20 0.55
▸ ALDH1A1 P00352 5/20 0.52
▸ HPGD P15428 3/20 0.52
▸ NPSR1 Q6W5P4 1/20 0.52
▸ MAPT P10636 2/20 0.51
▸ RAB9A P51151 2/20 0.51
▸ PDGFRB P09619 1/20 0.51
▸ FGFR1 P11362 1/20 0.51
▸ PDGFRA P16234 1/20 0.51
▸ FLT1 P17948 1/20 0.51
▸ FGFR3 P22607 1/20 0.51
▸ KDR P35968 1/20 0.51
▸ NPC1 O15118 1/20 0.51
▸ PKM P14618 1/20 0.51
▸ CRHBP P24387 1/20 0.51
▸ CRHR2 Q13324 1/20 0.51
▸ LMNA P02545 3/20 0.51
▸ PTGER4 P35408 1/20 0.51

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
SCHEMBL3085325 0.89 VCAM1 (0.59) PDK1VCAM1KMT2AALDH1A1HPGD
SCHEMBL23507217 0.88 VCAM1 (0.56) PDK1VCAM1KMT2AALDH1A1HPGD
SCHEMBL1018568 0.88 VCAM1 (0.58) PDK1VCAM1KMT2AALDH1A1HPGD
SCHEMBL14412612 0.88 VCAM1 (0.58) PDK1VCAM1KMT2AALDH1A1HPGD
SCHEMBL18013199 0.88 VCAM1 (0.61) VCAM1KMT2AALDH1A1HPGDNPSR1
SCHEMBL27202814 0.87 VCAM1 (0.54) PDK1VCAM1KMT2AALDH1A1HPGD
SCHEMBL7998324 0.87 VCAM1 (0.54) PDK1VCAM1KMT2AALDH1A1HPGD
SCHEMBL5882457 0.87 VCAM1 (0.54) PDK1VCAM1KMT2AALDH1A1HPGD
SCHEMBL5882061 0.87 VCAM1 (0.57) PDK1VCAM1KMT2AALDH1A1HPGD
SCHEMBL18148192 0.87 VCAM1 (0.57) PDK1VCAM1KMT2AALDH1A1HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111132972-B Small molecule modulators of human STING 克拉德夫制药有限公司 2024-07-12 — — CN disclosed
US-11571423-B2 Small molecule modulators of human sting CURADEV PHARMA LIMITED (GB) 2023-02-07 — — US 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
EP-3642198-B1 SMALL MOLECULE MODULATORS OF HUMAN STING CURADEV PHARMA LTD (GB) 2022-03-16 — — EP disclosed
EP-3763367-A1 PYRIDINE-PYRAZOLE DERIVATIVES AS HISTONE DEMETHYLASE INHIBITORS Celgene Quanticel Research, Inc. (US) 2021-01-13 — — EP disclosed
EP-3763367-A1 PYRIDINE-PYRAZOLE DERIVATIVES AS HISTONE DEMETHYLASE INHIBITORS Celgene Quanticel Research, Inc. (US) 2021-01-13 — — EP disclosed
EP-2928471-B1 HISTONE DEMETHYLASE INHIBITORS CELGENE QUANTICEL RES INC (US) 2020-10-14 — — EP disclosed
EP-2928471-B1 HISTONE DEMETHYLASE INHIBITORS CELGENE QUANTICEL RES INC (US) 2020-10-14 — — EP disclosed
US-20200147083-A1 SMALL MOLECULE MODULATORS OF HUMAN STING CURADEV PHARMA LIMITED (GB) 2020-05-14 — — US disclosed
US-20100292458-A1 NOVEL PHOTOLABILE PROTECTIVE GROUPS FOR IMPROVED PROCESSES TO PREPARE OLIGONUCLEOTIDE ARRAYS NIGU CHEMIE GMBH (DE) 2010-11-18 — — US disclosed
US-20100292458-A1 NOVEL PHOTOLABILE PROTECTIVE GROUPS FOR IMPROVED PROCESSES TO PREPARE OLIGONUCLEOTIDE ARRAYS NIGU CHEMIE GMBH (DE) 2010-11-18 — — US disclosed
US-7759513-B2 Photolabile protective groups for improved processes to prepare oligonucleotide arrays NIGU CHEMIE GMBH (DE) 2010-07-20 — — US disclosed
US-7759513-B2 Photolabile protective groups for improved processes to prepare oligonucleotide arrays NIGU CHEMIE GMBH (DE) 2010-07-20 — — US disclosed
EP-1990338-A2 Biphenylcyclopropylamides as p-38 Kinase inhibitors Novartis AG (CH) 2008-11-12 — — EP disclosed
US-7115647-B2 Method of inhibiting neoplastic cells with indole derivatives OSI PHARMACEUTICALS, INC. (US) 2006-10-03 — — US disclosed
US-20040175741-A1 Novel photolabile protective groups for improved processes to prepare oligonucleotide arrays NIGU CHEMIE GMBH (DE) 2004-09-09 — — 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
US-20020143022-A1 Method of inhibiting neoplastic cells with indole derivatives OSI PHARMACEUTICALS, INC. 2002-10-03 — — US disclosed
US-6410584-B1 ANTICANCER AGENTS CELL PATHWAYS, INC. 2002-06-25 — — 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-20100292458-A1 NOVEL PHOTOLABILE PROTECTIVE GROUPS FOR IMPROVED PROCESSES TO PREPARE OLIGONUCLEOTIDE ARRAYS NT5C3B, NSUN2, ERCC4 PDK1 4013/4885VCAM1 3546/4885KMT2A 2382/4885
US-20020143022-A1 Method of inhibiting neoplastic cells with indole derivatives IDO1, IDO2, INMT PDK1 1762/4885VCAM1 2038/4885KMT2A 1949/4885
US-11571423-B2 Small molecule modulators of human sting STING1, IRF3, CGAS PDK1 2868/4885VCAM1 3279/4885KMT2A 4153/4885
US-20040175741-A1 Novel photolabile protective groups for improved processes to prepare oligonucleotide arrays NT5C3B, NSUN2, DCLRE1B PDK1 3890/4885VCAM1 3745/4885KMT2A 2530/4885
US-20200147083-A1 SMALL MOLECULE MODULATORS OF HUMAN STING STING1, IRF3, CGAS PDK1 2868/4885VCAM1 3279/4885KMT2A 4153/4885

“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.