SCHEMBL7056064

SCHEMBL7056064

O=C(CCCS)OCc1ccccc1

nearest known ligand 0.59

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.59
MAPK1 P28482 2/20 0.59
L3MBTL1 Q9Y468 2/20 0.59
TDP1 Q9NUW8 2/20 0.50
KMT2A Q03164 2/20 0.50
SLC6A2 P23975 1/20 0.50
SLC6A3 Q01959 1/20 0.50
LMNA P02545 2/20 0.49
HTT P42858 1/20 0.47
EPHX2 P34913 1/20 0.46
HCAR2 Q8TDS4 1/20 0.46
NOTUM Q6P988 1/20 0.46
MEN1 O00255 1/20 0.46
POLB P06746 1/20 0.46
MAPT P10636 1/20 0.46
CTRB1 P17538 2/20 0.45
CDC25B P30305 1/20 0.45

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
SCHEMBL10965991 0.95 ALDH1A1 (0.58) ALDH1A1MAPK1L3MBTL1TDP1KMT2A
SCHEMBL27145439 0.93 ALDH1A1 (0.56) ALDH1A1MAPK1L3MBTL1TDP1KMT2A
SCHEMBL1200923 0.89 ALDH1A1 (0.63) ALDH1A1MAPK1L3MBTL1TDP1KMT2A
SCHEMBL18673 0.89 ALDH1A1 (0.68) ALDH1A1MAPK1L3MBTL1TDP1KMT2A
SCHEMBL3963428 0.89 ALDH1A1 (0.68) ALDH1A1MAPK1L3MBTL1TDP1KMT2A
SCHEMBL10582302 0.87 ALDH1A1 (0.61) ALDH1A1MAPK1L3MBTL1TDP1KMT2A
SCHEMBL118235 0.87 ALDH1A1 (0.66) ALDH1A1MAPK1L3MBTL1TDP1KMT2A
SCHEMBL2926392 0.87 ALDH1A1 (0.66) ALDH1A1MAPK1L3MBTL1TDP1KMT2A
SCHEMBL20624816 0.87 ALDH1A1 (0.66) ALDH1A1MAPK1L3MBTL1TDP1KMT2A
SCHEMBL28434793 0.87 ALDH1A1 (0.66) ALDH1A1MAPK1L3MBTL1TDP1KMT2A

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 11 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
EP-0011456-B1 ORGANOTIN COMPOUNDS AND RESINS OR POLYMERS STABILIZED THEREWITH M & T CHEMICALS, INC. (US) 1983-09-07 EP disclosed
US-4361665-A ANTIMONY STABILIZER, ORTHO-DIHYDRIC PHENOL CHAIN STOPPER TENNECO CHEMICALS, INC. (US) 1982-11-30 US disclosed
US-4336168-A ORGANIC SULFUR COMPOUNDS TENNECO CHEMICALS, INC. (US) 1982-06-22 US disclosed
EP-0039159-A1 Vinyl halide resin compositions containing antimony-based stabilizer compositions, such stabilizer compositions and processes of production thereof Nuodex Inc. (US) 1981-11-04 EP disclosed
US-4254017-A HEAT STABILIZER FOR POLYVINYL CHLORIDE M&T CHEMICALS INC. (US) 1981-03-03 US disclosed
EP-0011456-A1 Organotin compounds and resins or polymers stabilized therewith M & T CHEMICALS, INC. (US) 1980-05-28 EP 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 ALDH1A1 281/4885MAPK1 339/4885L3MBTL1 4287/4885

“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.