SCHEMBL6687918

SCHEMBL6687918

CS(=O)(=O)O.O=C(NO)C1(S(=O)(=O)c2ccc(Oc3ccc(OC(F)(F)F)cc3)cc2)CCN(C2CC2)CC1

nearest known ligand 0.94

Known targets — ChEMBL curated mechanism

ABL1ADRA1AADRA1BADRA1DADRA2AADRA2BADRA2CADRB2AGTR1BCL2BCL2A1BCL2L1BCL2L10BCL2L2BCRBRAFCHRM1CHRNA10CHRNA9DRD1DRD2DRD3DRD4DRD5EGFRF2FLT1FLT4GCKGHSRGNRHRGRIN1GRIN2AGRIN2BGRIN2CGRIN2DGRIN3AGRIN3BHTR1AHTR1BHTR1DHTR2AHTR2CHTR3AIDH2KDRKITMAOBMCL1MTTPPP4HBPDGFRBPIK3CAPIK3CBPIK3CDPIK3CGPIK3R1PIK3R2PIK3R3PIK3R5PIKFYVEROCK1ROCK2SLC18A2SLC6A2SLC6A3SLC6A4TACR1TUBA1ATUBA1BTUBA1CTUBA3CTUBA3ETUBA4ATUBBTUBB1TUBB2ATUBB2BTUBB3TUBB4ATUBB4BTUBB6TUBB8gyrAgyrBparCparEpol

The experimentally established mechanism targets of None. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MMP14 P50281 16/20 0.94
MMP9 P14780 15/20 0.94
MMP13 P45452 14/20 0.94
MMP1 P03956 14/20 0.94
MMP8 P22894 11/20 0.94
MMP3 P08254 10/20 0.94
MMP7 P09237 2/20 0.94
MMP2 P08253 9/20 0.77

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
SCHEMBL5919245 0.97 MMP14 (1.00) MMP14MMP9MMP13MMP1MMP8
Hydrochloric Acid SCHEMBL6049826 0.96 MMP14 (0.98) MMP14MMP9MMP13MMP1MMP8
SCHEMBL6685426 0.94 MMP14 (0.86) MMP14MMP9MMP13MMP1MMP8
SCHEMBL6687921 0.89 MMP14 (0.78) MMP14MMP9MMP13MMP1MMP8
SCHEMBL16842624 0.88 MMP3 (0.82) MMP14MMP9MMP13MMP1MMP8
SCHEMBL5919039 0.87 MMP13 (1.00) MMP14MMP9MMP13MMP1MMP8
Hydrochloric Acid SCHEMBL6466851 0.86 MMP13 (0.98) MMP14MMP9MMP13MMP1MMP8
SCHEMBL16089502 0.86 MMP9 (1.00) MMP14MMP9MMP13MMP1MMP8
SCHEMBL5919266 0.85 MMP13 (0.77) MMP14MMP9MMP13MMP1MMP8
SCHEMBL6687124 0.84 MMP14 (1.00) MMP14MMP9MMP13MMP1MMP8

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040235818-A1 Aromatic sulfone hydroxamic acid metalloprotease inhibitor PHARMACIA CORPORATION 2004-11-25 US disclosed
US-6750228-B1 UNCONTROLLED BREAKDOWN OF CONNECTIVE TISSUE BY METALLOPROTEASES IS A FEATURE OF MANY PATHOLOGICAL CONDITIONS PHARMACIA CORPORATION 2004-06-15 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 (1 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-20040235818-A1 Aromatic sulfone hydroxamic acid metalloprotease inhibitor MMP9, MMP13, MMP2 MMP14 7/4885MMP9 1/4885MMP13 2/4885

“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.