SCHEMBL7059908

SCHEMBL7059908

O=C(NOC1CCCCO1)[C@H]1CN(S(=O)(=O)CC(S)Cc2nc3ccccc3[nH]2)CCN1S(=O)(=O)c1ccc(-c2ccc(F)cc2)s1

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.33
LMNA P02545 1/20 0.33
TP53 P04637 1/20 0.33
CASP1 P29466 1/20 0.33
CASP7 P55210 1/20 0.33
HSD17B10 Q99714 1/20 0.33
KDM4E B2RXH2 2/20 0.32
TSHR P16473 1/20 0.32
KMT2A Q03164 3/20 0.32
TNKS O95271 1/20 0.31
TNKS2 Q9H2K2 1/20 0.31
HTR2B P41595 1/20 0.31
ALDH1A1 P00352 1/20 0.30
TDP1 Q9NUW8 1/20 0.30
NPC1 O15118 1/20 0.30
NTMT1 Q9BV86 1/20 0.30
POLB P06746 1/20 0.30
SLC2A1 P11166 1/20 0.30
PKM P14618 1/20 0.30
HCRTR1 O43613 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
SCHEMBL7057803 0.94 SMN1; SMN2 (0.33) SMN1; SMN2LMNATP53CASP1CASP7
SCHEMBL7055447 0.89 HTR2B (0.32) SMN1; SMN2HTR2B
Hydrochloric Acid SCHEMBL7053139 0.86 MMP8 (0.37) SMN1; SMN2LMNATP53CASP1CASP7
SCHEMBL7060190 0.85 KMT2A (0.31) KMT2AHTR2BALDH1A1
SCHEMBL7060272 0.83 MEN1 (0.31) KMT2A
SCHEMBL7344974 0.82 MMP13 (0.39)
SCHEMBL7657254 0.81 REN (0.33) KMT2AALDH1A1
SCHEMBL7057175 0.81 REN (0.33) KMT2AALDH1A1
SCHEMBL7055859 0.80 MMP13 (0.39) SMN1; SMN2LMNATSHRKMT2AALDH1A1
Hydrochloric Acid SCHEMBL7060670 0.80 MMP8 (0.37) SMN1; SMN2LMNATP53CASP1CASP7

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 5 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-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 SMN1; SMN2 2584/4885LMNA 1832/4885TP53 2522/4885

“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.