SCHEMBL7059787

SCHEMBL7059787

O=C(NOC1CCCCO1)[C@H]1CN(C(=O)C=Cc2cccnc2)CCN1S(=O)(=O)c1ccc(-c2ccc(F)cc2)s1

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 6/20 0.40
HCRTR1 O43613 2/20 0.38
TSHR P16473 1/20 0.35
C3AR1 Q16581 1/20 0.35
FNTA P49354 1/20 0.33
FNTB P49356 1/20 0.33
GHSR Q92847 1/20 0.33
GPR183 P32249 3/20 0.32
MMP1 P03956 2/20 0.32
MMP3 P08254 2/20 0.32
MMP7 P09237 2/20 0.32
MMP9 P14780 1/20 0.32
MMP13 P45452 1/20 0.32
MAPT P10636 1/20 0.32
HCRTR2 O43614 1/20 0.31
MMP2 P08253 1/20 0.31

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
SCHEMBL7346270 0.85 ALDH1A1 (0.43) TSHRGHSR
SCHEMBL7058802 0.85 TSHR (0.41) TSHRC3AR1MMP1MMP3MMP7
Hydrochloric Acid SCHEMBL7053243 0.84 NAMPT (0.46) NAMPTGPR183MMP1MMP3MMP7
Hydrochloric Acid SCHEMBL7053241 0.84 NAMPT (0.46) NAMPTGPR183MMP1MMP3MMP7
SCHEMBL7657242 0.84 NAMPT (0.38) NAMPTHCRTR1C3AR1FNTAFNTB
SCHEMBL7056073 0.82 SMN1; SMN2 (0.36) HCRTR1TSHRMMP1MMP3MMP7
SCHEMBL7057786 0.82 MCHR1 (0.36) HCRTR1MMP1MMP3MMP9MMP13
SCHEMBL7059076 0.82 SMN1; SMN2 (0.36) HCRTR1MMP1MMP3MMP7MMP9
SCHEMBL7054549 0.81 HCRTR1 (0.37) HCRTR1MMP1MMP3MMP7MMP9
SCHEMBL7058722 0.81 HCRTR1 (0.41) HCRTR1TSHRMMP1MMP3MMP7

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-20030060473-A1 Piperazine compounds as inhibitors of MMP or TNF FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2003-03-27 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 (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-20030060473-A1 Piperazine compounds as inhibitors of MMP or TNF MMP2, MMP1, TNF NAMPT 1436/4885HCRTR1 772/4885TSHR 1688/4885

“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.