SCHEMBL22636752

SCHEMBL22636752

CS(=O)(=O)c1cc([N+](=O)[O-])c(Br)cc1Cl

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
VCAM1 P19320 8/20 0.42
CCR2 P41597 2/20 0.39
PDE7A Q13946 1/20 0.37
TSHR P16473 1/20 0.37
MAPK1 P28482 1/20 0.37
MAPT P10636 2/20 0.37
POLB P06746 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
ALDH1A1 P00352 3/20 0.36
MEN1 O00255 1/20 0.36
LMNA P02545 1/20 0.36
KMT2A Q03164 1/20 0.36
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
MMP1 P03956 1/20 0.36
MMP2 P08253 1/20 0.36
MMP9 P14780 1/20 0.36
MMP8 P22894 1/20 0.36
MMP13 P45452 1/20 0.36
CYP2D6 P10635 1/20 0.36

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
SCHEMBL31587515 1.00 VCAM1 (0.42) VCAM1CCR2PDE7ATSHRMAPK1
SCHEMBL1625901 0.84 VCAM1 (0.46) VCAM1CCR2TSHRMAPK1ALDH1A1
SCHEMBL22636682 0.80 MAPT (0.44) VCAM1MAPK1MAPTALDH1A1MEN1
SCHEMBL29825963 0.80 MAPT (0.44) VCAM1MAPK1MAPTALDH1A1MEN1
SCHEMBL3897956 0.78 PDE7A (0.53) VCAM1PDE7ATSHRMAPK1MAPT
SCHEMBL30733173 0.78 PDE7A (0.53) VCAM1PDE7ATSHRMAPK1MAPT
SCHEMBL22557554 0.77 CA1 (0.44) VCAM1CCR2TSHRMAPK1SMN1; SMN2
SCHEMBL22637083 0.75 ALDH1A1 (0.49) VCAM1PDE7ATSHRMAPK1MAPT
SCHEMBL18586890 0.74 ALDH1A1 (0.45) VCAM1MAPTSMN1; SMN2ALDH1A1LMNA
SCHEMBL11772881 0.73 ALDH1A1 (0.56) VCAM1TSHRMAPK1MAPTPOLB

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 14 patents. 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-12377084-B2 ERAP1 modulators Grey Wolf Therapeutics Limited (GB) 2025-08-05 US disclosed
US-20240366595-A1 PHENYL-SULFAMOYL.BENZOYC ACIDS AS ERAP1 MODULATORS Grey Wolf Therapeutics Limited (GB) 2024-11-07 US disclosed
US-12023333-B2 Phenyl-sulfamoyl.benzoyc acids as ERAP1 modulators Grey Wolf Therapeutics Limited (GB) 2024-07-02 US disclosed
US-12023333-B2 Phenyl-sulfamoyl.benzoyc acids as ERAP1 modulators Grey Wolf Therapeutics Limited (GB) 2024-07-02 US disclosed
US-20230064417-A1 COMPOUNDS Grey Wolf Therapeutics Limited (GB) 2023-03-02 US disclosed
US-20230000851-A1 ERAP1 MODULATORS Grey Wolf Therapeutics Limited (GB) 2023-01-05 US disclosed
US-20220347176-A1 PHENYL-SULFAMOYL.BENZOYC ACIDS AS ERAP1 MODULATORS Grey Wolf Therapeutics Limited (GB) 2022-11-03 US disclosed
EP-4058429-A1 ERAP1 MODULATORS Grey Wolf Therapeutics Limited (GB) 2022-09-21 EP disclosed
EP-3966196-A1 PHENYL-SULFAMOYL.BENZOYC ACIDS AS ERAP1 MODULATORS Grey Wolf Therapeutics Limited (GB) 2022-03-16 EP disclosed
EP-3883650-A1 COMPOUNDS Grey Wolf Therapeutics Limited (GB) 2021-09-29 EP disclosed
CN-113056305-A Compound (I) 格雷沃尔夫治疗有限公司 2021-06-29 CN disclosed
WO-2021094763-A1 ERAP1 MODULATORS Grey Wolf Therapeutics Limited (GB) 2021-05-20 WO disclosed
WO-2020225569-A1 PHENYL-SULFAMOYL.BENZOYC ACIDS AS ERAP1 MODULATORS Grey Wolf Therapeutics Limited (GB) 2020-11-12 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-20240366595-A1 PHENYL-SULFAMOYL.BENZOYC ACIDS AS ERAP1 MODULATORS CHP1, ERAP1, QSOX1 VCAM1 2727/4885CCR2 393/4885PDE7A 4298/4885
US-20220347176-A1 PHENYL-SULFAMOYL.BENZOYC ACIDS AS ERAP1 MODULATORS ERAP1, CHP1, QSOX1 VCAM1 3011/4885CCR2 421/4885PDE7A 4348/4885
US-12377084-B2 ERAP1 modulators ERAP1, NR1I3, HRH4 VCAM1 3822/4885CCR2 514/4885PDE7A 3070/4885
US-20230064417-A1 COMPOUNDS H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, HRH4, CBR3 VCAM1 4618/4885CCR2 133/4885PDE7A 4076/4885
US-12023333-B2 Phenyl-sulfamoyl.benzoyc acids as ERAP1 modulators ERAP1, CHP1, QSOX1 VCAM1 2651/4885CCR2 347/4885PDE7A 4190/4885
US-20230000851-A1 ERAP1 MODULATORS ERAP1, NR1I3, HRH4 VCAM1 3822/4885CCR2 514/4885PDE7A 3070/4885
US-12485169-B2 Compounds SLC10A1, VHL, CFTR VCAM1 4004/4885CCR2 4415/4885PDE7A 3030/4885

“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.