SCHEMBL5700957

SCHEMBL5700957

CCOC(=O)CC(CC(=O)OCC)c1ccc(N)cc1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.64
KDM4E B2RXH2 2/20 0.64
HTT P42858 1/20 0.64
F2 P00734 4/20 0.53
F10 P00742 4/20 0.53
LMNA P02545 4/20 0.51
CYP1A2 P05177 2/20 0.51
CYP3A4 P08684 2/20 0.51
MAOA P21397 1/20 0.51
PPID Q08752 2/20 0.47
PPIB P23284 1/20 0.47
PPIA P62937 1/20 0.47
PPIG Q13427 1/20 0.47
MAPT P10636 2/20 0.42
PRSS1 P07477 1/20 0.41
TSHR P16473 2/20 0.41
PPARG P37231 1/20 0.39
PRKCZ Q05513 1/20 0.39
MEN1 O00255 1/20 0.39
NPC1 O15118 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
SCHEMBL5701034 0.94 ALDH1A1 (0.58) ALDH1A1KDM4EHTTF2F10
SCHEMBL5691331 0.85 ALDH1A1 (0.62) ALDH1A1KDM4EHTTF2F10
SCHEMBL5670458 0.85 ALDH1A1 (0.62) ALDH1A1KDM4EHTTF2F10
SCHEMBL7720487 0.83 ALDH1A1 (0.61) ALDH1A1KDM4EHTTF2F10
SCHEMBL6264598 0.83 F2 (0.50) ALDH1A1KDM4EHTTF2F10
SCHEMBL232194 0.82 F2 (0.59) ALDH1A1F2F10CYP1A2CYP3A4
SCHEMBL5701026 0.82 ALDH1A1 (0.51) ALDH1A1KDM4EHTTF2F10
SCHEMBL232825 0.82 ALDH1A1 (0.59) ALDH1A1KDM4EHTTF2F10
SCHEMBL5691956 0.82 ALDH1A1 (0.59) ALDH1A1KDM4EHTTF2F10
SCHEMBL1508524 0.82 KDM4E (0.59) ALDH1A1KDM4EHTTF2F10

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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1027328-B1 SUBSTITUTED ANILIDES AVENTIS PHARMA LTD (GB) 2006-08-23 EP disclosed
EP-0928790-B1 Thiazole derivatives HOFFMANN LA ROCHE (CH) 2003-03-05 EP disclosed
US-6479519-B1 INHIBITORS OF CELL ADHESION; TREATMENT OF ASTHMA OR INFLAMMATORY BOWEL DISEASE AVENTIS PHARMA LIMITED (GB) 2002-11-12 US disclosed
US-6344562-B1 ANTITUMOR AGENTS HOFFMANN-LA ROCHE INC. 2002-02-05 US disclosed
US-20020010316-A1 Thiazole derivatives ALIG LEO (CH) 2002-01-24 US disclosed
US-6320054-B1 INHIBIT BINDING OF ADHESIVE PROTEINS TO THE SURFACE OF DIFFERENT TYPES F CELL AND ACCORDINGLY INFLUENCE CELL-CELL AND CELL-MATRIX INTERACTIONS. HOFFMAN-LA ROCHE INC. 2001-11-20 US disclosed
EP-1027328-A1 SUBSTITUTED ANILIDES Aventis Pharma Limited (GB) 2000-08-16 EP disclosed
US-6100282-A Thiazole derivatives HOFFMAN-LA ROCHE INC. (US) 2000-08-08 US disclosed
EP-0928790-A1 Thiazole derivatives F. HOFFMANN-LA ROCHE AG (CH) 1999-07-14 EP disclosed
WO-1999023063-A1 SUBSTITUTED ANILIDES AVENTIS PHARMA LIMITED (GB) 1999-05-14 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-20020010316-A1 Thiazole derivatives VCAM1, SOST, TGFB1 ALDH1A1 1400/4885KDM4E 4278/4885HTT 3020/4885

“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.