SCHEMBL7057540

SCHEMBL7057540

O=S(=O)(Cl)c1ccc(-c2ccc(F)cc2)s1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.42
NPC1 O15118 2/20 0.42
RAB9A P51151 2/20 0.42
ALDH1A1 P00352 1/20 0.42
HPGD P15428 1/20 0.42
MMP1 P03956 1/20 0.42
MMP2 P08253 1/20 0.42
MMP3 P08254 1/20 0.42
MMP9 P14780 1/20 0.42
MMP8 P22894 1/20 0.42
MMP13 P45452 1/20 0.42
MMP14 P50281 1/20 0.42
HSD17B1 P14061 2/20 0.42
HSD17B2 P37059 2/20 0.42
CNR1 P21554 1/20 0.39
CA12 O43570 3/20 0.39
CA1 P00915 3/20 0.39
CA2 P00918 3/20 0.39
CA9 Q16790 3/20 0.39
MEN1 O00255 1/20 0.39

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
SCHEMBL788106 0.84 PFKFB3 (0.43) MMP1MMP2MMP3MMP9MMP8
SCHEMBL2764152 0.83 IKBKB (0.47) ALDH1A1MMP1MMP2MMP9MMP14
SCHEMBL7053171 0.83 HSD17B1 (0.53) KDM4EHSD17B1HSD17B2CNR1CA12
SCHEMBL7056144 0.81 MEN1 (0.49) RAB9AALDH1A1MMP1MMP14HSD17B1
SCHEMBL7549393 0.81 MMP2 (0.42) NPC1HPGDMMP1MMP2MMP9
SCHEMBL5727054 0.81 RAB9A (0.46) KDM4ENPC1RAB9AALDH1A1HPGD
SCHEMBL3254332 0.81 MMP2 (0.42) NPC1HPGDMMP1MMP2MMP9
SCHEMBL18118201 0.81 CA1 (0.56) KDM4ENPC1RAB9AALDH1A1HPGD
SCHEMBL14569159 0.81 PTGS2 (0.46) KDM4ENPC1RAB9AALDH1A1HPGD
SCHEMBL957340 0.81 CA12 (0.44) KDM4ENPC1RAB9AALDH1A1HPGD

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 4 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

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 KDM4E 1869/4885NPC1 2731/4885RAB9A 3494/4885
US-20030060473-A1 Piperazine compounds as inhibitors of MMP or TNF MMP2, MMP1, TNF KDM4E 1604/4885NPC1 3204/4885RAB9A 3610/4885

“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.