SCHEMBL7055780

SCHEMBL7055780

O=S(=O)(O)c1ccc(-c2ccc(C(F)(F)F)cc2)s1.[NaH]

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
GCK P35557 1/20 0.43
GCKR Q14397 1/20 0.43
KIF11 P52732 10/20 0.41
MMP1 P03956 1/20 0.41
MMP13 P45452 1/20 0.41
CA1 P00915 3/20 0.41
CA2 P00918 3/20 0.41
CA12 O43570 2/20 0.41
CA9 Q16790 2/20 0.41
PRF1 P14222 1/20 0.39
WRN Q14191 1/20 0.38
P2RY14 Q15391 2/20 0.37
PFKFB3 Q16875 1/20 0.37

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
SCHEMBL5726849 0.98 GCK (0.44) GCKGCKRKIF11MMP1MMP13
SCHEMBL5727491 0.84 PFKFB3 (0.50) KIF11MMP1MMP13CA1CA2
SCHEMBL14569177 0.82 KIF11 (0.46) GCKGCKRKIF11MMP1MMP13
SCHEMBL3253299 0.82 KIF11 (0.42) GCKGCKRKIF11MMP1MMP13
SCHEMBL6234020 0.82 CA1 (0.58) GCKGCKRKIF11CA1CA2
SCHEMBL7347511 0.82 KIF11 (0.42) GCKGCKRKIF11MMP1MMP13
SCHEMBL7055779 0.81 KIF11 (0.45) GCKGCKRKIF11MMP1MMP13
SCHEMBL5727054 0.80 RAB9A (0.46) GCKGCKRMMP1MMP13CA1
SCHEMBL7054825 0.78 RAB9A (0.51) MMP1CA1CA2CA12CA9
SCHEMBL14705447 0.76 KIF11 (0.52) KIF11PRF1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20030060473-A1 Piperazine compounds as inhibitors of MMP or TNF FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2003-03-27 US disclosed
US-6489324-B2 TREATING STROKE, ARHTRITIS, CANCER, TISSUE ULCERATION, DECUBITIS ULCER, RESTENOSIS, PERIODONTAL DISEASE, EPIDERMOLYSIS BULLOSA, SCLERITIS, PSORIASIS, AIDS, SEPSIS, AND SEPTIC SHOCK. FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2002-12-03 US disclosed
US-20020128270-A1 Piperazine compounds as inhibitors of MMP or TNF FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2002-09-12 US disclosed
US-6333324-B1 FOR THERAPY AND PROPHYLAXIS OF MATRIX METALLOPROTEINASES (MMP) OR TUMOR NECROSIS FACTOR .ALPHA. (TNF.ALPHA.), MEDIATED DISEASES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2001-12-25 US disclosed
EP-0948489-A1 PIPERAZINE COMPOUNDS AS INHIBITORS OF MMP OR TNF FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1999-10-13 EP disclosed
WO-1998027069-A1 PIPERAZINE COMPOUNDS AS INHIBITORS OF MMP OR TNF FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1998-06-25 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 (2 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-20020128270-A1 Piperazine compounds as inhibitors of MMP or TNF MMP1, MMP2, TNF GCK 1458/4885GCKR 1794/4885KIF11 3828/4885
US-20030060473-A1 Piperazine compounds as inhibitors of MMP or TNF MMP2, MMP1, TNF GCK 1398/4885GCKR 1738/4885KIF11 3527/4885

“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.