SCHEMBL7055854

SCHEMBL7055854

N#Cc1ccc(-c2ccc(S(=O)(=O)Cl)s2)cc1

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 1/20 0.47
HDAC6 Q9UBN7 1/20 0.47
AR P10275 1/20 0.43
CA1 P00915 6/20 0.42
CA2 P00918 6/20 0.42
CA9 Q16790 5/20 0.42
CA12 O43570 4/20 0.42
POLB P06746 1/20 0.42
PRF1 P14222 1/20 0.42
PRKDC P78527 1/20 0.38
HSD17B1 P14061 2/20 0.36
HSD17B2 P37059 2/20 0.36
TRPV4 Q9HBA0 1/20 0.36
PGR P06401 1/20 0.36
MMP3 P08254 1/20 0.36
HSD11B1 P28845 1/20 0.36
MAOA P21397 1/20 0.36
MAOB P27338 1/20 0.36
PTGS2 P35354 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
SCHEMBL14569180 0.83 HDAC1 (0.47) HDAC1HDAC6ARCA1CA2
SCHEMBL7059253 0.80 PKM (0.39) CA1CA2CA9CA12MMP3
SCHEMBL7058945 0.79 MMP13 (0.35) CA1CA2CA9CA12POLB
SCHEMBL2764152 0.79 IKBKB (0.47) CA1CA2CA9CA12POLB
SCHEMBL27961801 0.78 AR (0.56) HDAC1HDAC6ARCA1CA2
SCHEMBL7549393 0.77 MMP2 (0.42) CA1CA2CA9CA12HSD17B1
SCHEMBL3254332 0.77 MMP2 (0.42) CA1CA2CA9CA12HSD17B1
SCHEMBL7056144 0.77 MEN1 (0.49) HDAC1CA1CA2CA9CA12
SCHEMBL7057540 0.77 KDM4E (0.42) CA1CA2CA9CA12PRF1
SCHEMBL7341689 0.77 CA12 (0.44) HDAC1HDAC6CA1CA2CA9

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 HDAC1 93/4885HDAC6 210/4885AR 592/4885
US-20030060473-A1 Piperazine compounds as inhibitors of MMP or TNF MMP2, MMP1, TNF HDAC1 114/4885HDAC6 187/4885AR 582/4885

“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.