SCHEMBL6686531

SCHEMBL6686531

COCCN1CCC(C(=O)NO)(S(=O)(=O)c2ccc(Oc3ccc(OC(F)(F)F)cc3)cc2)CC1.O=S(=O)(O)c1ccccc1

nearest known ligand 0.88

Known targets — ChEMBL curated mechanism

BTKCACNA1CCACNA1DCACNA1FCACNA1SCACNA2D1CACNA2D2DRD2GABRA1GABRA2GABRA3GABRA4GABRA5GABRA6GABRB1GABRB2GABRB3GABRDGABREGABRG1GABRG2GABRG3GABRPGABRQHRH1HTR2AP2RY12

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 9)

geneUniProtsupporting neighboursconfidence
MMP9 P14780 15/20 0.88
MMP14 P50281 13/20 0.88
MMP8 P22894 10/20 0.88
MMP3 P08254 9/20 0.88
MMP7 P09237 4/20 0.88
MMP1 P03956 14/20 0.74
MMP13 P45452 15/20 0.71
MMP2 P08253 8/20 0.71
ADAM17 P78536 3/20 0.62

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
Sulfuric Acid SCHEMBL6685375 0.94 MMP14 (0.96) MMP9MMP14MMP8MMP3MMP7
SCHEMBL6684445 0.94 MMP14 (0.96) MMP9MMP14MMP8MMP3MMP7
SCHEMBL5919470 0.94 MMP14 (1.00) MMP9MMP14MMP8MMP3MMP7
SCHEMBL6684680 0.93 MMP14 (0.88) MMP9MMP14MMP8MMP3MMP7
Acetic Acid SCHEMBL6687643 0.93 MMP14 (0.95) MMP9MMP14MMP8MMP3MMP7
Hydrochloric Acid SCHEMBL6461484 0.93 MMP14 (0.98) MMP9MMP14MMP8MMP3MMP7
Phosphoric Acid SCHEMBL6688569 0.91 MMP14 (0.95) MMP9MMP14MMP8MMP3MMP7
SCHEMBL5919236 0.89 MMP13 (0.80) MMP9MMP14MMP8MMP3MMP7
Citric Acid SCHEMBL6687662 0.88 MMP14 (0.84) MMP9MMP14MMP8MMP3MMP7
SCHEMBL6686540 0.88 MMP9 (0.75) MMP9MMP14MMP8MMP3MMP7

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 MMP9 1/4885MMP14 7/4885MMP8 24/4885

“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.