SCHEMBL550564

SCHEMBL550564

CS(=O)(=O)c1ccc(F)c([N+](=O)[O-])c1

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
VCAM1 P19320 1/20 0.73
ALDH1A1 P00352 6/20 0.56
MAPT P10636 4/20 0.56
GAA P10253 3/20 0.56
NPSR1 Q6W5P4 2/20 0.56
LMNA P02545 2/20 0.56
MITF O75030 1/20 0.56
HTT P42858 1/20 0.56
HIF1A Q16665 1/20 0.56
ALDH3A1 P30838 4/20 0.56
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
RAB9A P51151 1/20 0.47
PKM P14618 2/20 0.45
TDP1 Q9NUW8 2/20 0.44
ATM Q13315 1/20 0.44
CA12 O43570 1/20 0.43
CA1 P00915 1/20 0.43
CA2 P00918 1/20 0.43
CA9 Q16790 1/20 0.43

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
SCHEMBL29550525 1.00 VCAM1 (0.73) VCAM1ALDH1A1MAPTGAANPSR1
SCHEMBL26548015 0.86 VCAM1 (0.69) VCAM1ALDH1A1MAPTGAANPSR1
SCHEMBL18894159 0.85 ATM (0.58) VCAM1ALDH1A1MAPTGAANPSR1
SCHEMBL30323188 0.85 ATM (0.58) VCAM1ALDH1A1MAPTGAANPSR1
SCHEMBL14008592 0.85 VCAM1 (0.53) VCAM1ALDH1A1MAPTGAANPSR1
SCHEMBL29510874 0.85 VCAM1 (1.00) VCAM1ALDH1A1MAPTGAANPSR1
SCHEMBL133996 0.85 VCAM1 (1.00) VCAM1ALDH1A1MAPTGAANPSR1
SCHEMBL6417727 0.85 VCAM1 (1.00) VCAM1ALDH1A1MAPTGAANPSR1
SCHEMBL2313760 0.82 VCAM1 (0.69) VCAM1ALDH1A1MAPTGAANPSR1
Potassium Ion SCHEMBL11769055 0.81 VCAM1 (0.73) VCAM1ALDH1A1MAPTGAANPSR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12485169-B2 Compounds Grey Wolf Therapeutics Limited (GB) 2025-12-02 US disclosed
US-20250145621-A1 1H-PYRROLO[2,3-c]PYRIDIN-7(6H)-ONES AND PYRAZOLO[3,4-c]PYRIDIN-7(6H)-ONES AS INHIBITORS OF BET PROTEINS INCYTE HOLDINGS CORPORATION 2025-05-08 US disclosed
US-20250109132-A1 COMPOUNDS AND METHODS FOR TREATING FRIEDREICH'S ATAXIA DESIGN THERAPEUTICS INC (US) 2025-04-03 US disclosed
US-12227502-B2 1H-pyrrolo[2,3-c]pyridin-7(6H)-ones and pyrazolo[3,4-c] pyridin-7(6H)-ones as inhibitors of BET proteins INCYTE CORPORATION (US) 2025-02-18 US disclosed
EP-4217361-B1 COMPOUNDS AS MODULATORS OF ENDOPLASMIC RETICULUM AMINOPEPTIDASE 1 (ERAP1) GREY WOLF THERAPEUTICS LTD (GB) 2024-12-25 EP disclosed
EP-4460302-A2 COMPOUNDS AND METHODS FOR TREATING FRIEDREICH'S ATAXIA Design Therapeutics, Inc. (US) 2024-11-13 EP disclosed
US-12091407-B2 Substituted fused imidazole derivatives, pharmaceutical compositions, and methods of use thereof VTV THERAPEUTICS LLC (US) 2024-09-17 US disclosed
US-20240300976-A1 COMPOUNDS AS MODULATORS OF ENDOPLASMIC RETICULUM AMINOPEPTIDASE 1 (ERAP1) Grey Wolf Therapeutics Limited (GB) 2024-09-12 US disclosed
US-20240238304-A1 Small Molecule Degraders of DOT1L and Uses Thereof NORTHWESTERN UNIVERSITY 2024-07-18 US disclosed
US-20240238304-A1 Small Molecule Degraders of DOT1L and Uses Thereof NORTHWESTERN UNIVERSITY 2024-07-18 US disclosed
US-6329366-B1 HETEROCYCLIC, PIPERIDINE, INDOLE DERIVITIVES FOR TREATMENT OF NERVOUS SYSTEM DISORDERS AND SEROTONIN ANTAGONIST ELI LILLY AND COMPANY LIMITED (GB) 2001-12-11 US disclosed
WO-2001066525-A1 NEW CCR5 MODULATORS: BENZIMIDAZOLES OR BENZOTRIAZOLES ASTRAZENECA AB (SE) 2001-09-13 WO disclosed
EP-1131321-A2 INDOLE DERIVATIVES AND THEIR USE AS SEROTONIN RECEPTOR LIGANDS ELI LILLY AND COMPANY LIMITED (GB) 2001-09-12 EP disclosed
WO-2001023347-A1 NOVEL AROMATIC COMPOUNDS NOVO NORDISK A/S (DK) 2001-04-05 WO disclosed
WO-2000069810-A1 GLUCAGON ANTAGONISTS/INVERSE AGONISTS NOVO NORDISK A/S (DK) 2000-11-23 WO disclosed
WO-2000031074-A2 INDOLE DERIVATIVES AND THEIR USE AS SEROTONIN RECEPTOR LIGANDS ELI LILLY AND COMPANY LIMITED (GB) 2000-06-02 WO disclosed
US-5451594-A NEMATOCIDES, INSECTICIDES, MITICIDES AND FUNGICIDES ZENECA LIMITED (GB) 1995-09-19 US disclosed
EP-0660830-A1 BENZOXAZOLE AND BEZOTHIAZOLE DERIVATIVES ZENECA LIMITED (GB) 1995-07-05 EP disclosed
WO-1994006782-A1 BENZOXAZOLE AND BEZOTHIAZOLE DERIVATIVES ZENECA LIMITED (GB) 1994-03-31 WO disclosed
WO-1994006783-A1 BENZOXAZOLE AND BENZOTHIAZOLE DERIVATIVES ZENECA LIMITED (GB) 1994-03-31 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 (7 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-12091407-B2 Substituted fused imidazole derivatives, pharmaceutical compositions, and methods of use thereof GLS, HMOX2, REN VCAM1 3991/4885ALDH1A1 1872/4885MAPT 2385/4885
US-20250145621-A1 1H-PYRROLO[2,3-c]PYRIDIN-7(6H)-ONES AND PYRAZOLO[3,4-c]PYRIDIN-7(6H)-ONES AS INHIBITORS OF BET PROTEINS BRD3, BRD1, BRD2 VCAM1 3445/4885ALDH1A1 4197/4885MAPT 1528/4885
US-20240300976-A1 COMPOUNDS AS MODULATORS OF ENDOPLASMIC RETICULUM AMINOPEPTIDASE 1 (ERAP1) ERAP1, ERAP2, ERMP1 VCAM1 4354/4885ALDH1A1 2190/4885MAPT 4468/4885
US-12485169-B2 Compounds SLC10A1, VHL, CFTR VCAM1 4004/4885ALDH1A1 276/4885MAPT 302/4885
US-20250109132-A1 COMPOUNDS AND METHODS FOR TREATING FRIEDREICH'S ATAXIA ATXN2, ATXN2L, ATXN10 VCAM1 3382/4885ALDH1A1 4371/4885MAPT 1940/4885
US-20240238304-A1 Small Molecule Degraders of DOT1L and Uses Thereof DOT1L, STUB1, BAZ2B VCAM1 1987/4885ALDH1A1 2743/4885MAPT 736/4885
US-12227502-B2 1H-pyrrolo[2,3-c]pyridin-7(6H)-ones and pyrazolo[3,4-c] pyridin-7(6H)-ones as inhibitors of BET proteins BRD3, BRD1, BRD2 VCAM1 3445/4885ALDH1A1 4197/4885MAPT 1528/4885

“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.