SCHEMBL7055447

SCHEMBL7055447

O=C(NOC1CCCCO1)[C@H]1CN(S(=O)(=O)CC(S)Cc2ncc[nH]2)CCN1S(=O)(=O)c1ccc(-c2ccc(F)cc2)s1

nearest known ligand 0.32

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
HTR2B P41595 2/20 0.32
SMN1; SMN2 Q16637 1/20 0.30

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
SCHEMBL7060272 0.94 MEN1 (0.31)
SCHEMBL7060190 0.94 KMT2A (0.31) HTR2B
SCHEMBL7344974 0.93 MMP13 (0.39)
SCHEMBL7059908 0.89 SMN1; SMN2 (0.33) HTR2BSMN1; SMN2
Hydrochloric Acid SCHEMBL7356982 0.86 HTR2B (0.34) HTR2B
SCHEMBL7055448 0.85 HTR2B (0.32) HTR2BSMN1; SMN2
SCHEMBL7346636 0.83 MMP13 (0.32) SMN1; SMN2
SCHEMBL7057803 0.83 SMN1; SMN2 (0.33) HTR2BSMN1; SMN2
SCHEMBL7056949 0.83 SMN1; SMN2 (0.35) SMN1; SMN2
SCHEMBL7055859 0.83 MMP13 (0.39) SMN1; SMN2

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-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 (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 HTR2B 583/4885SMN1; SMN2 2584/4885

“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.