SCHEMBL4666573

SCHEMBL4666573

Cc1cccc(OCC(=O)C2=C(O)C(CCCN3CCOCC3)OC2=O)c1C

nearest known ligand 0.55

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.50
POLB P06746 1/20 0.42
MEN1 O00255 3/20 0.41
KMT2A Q03164 3/20 0.41
HTR1A P08908 1/20 0.40
USP2 O75604 1/20 0.40
KDM4E B2RXH2 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
CYP2D6 P10635 1/20 0.39
TSHR P16473 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
SCHEMBL4664798 0.87 KDM4E (0.54) SMN1; SMN2MEN1KMT2AUSP2KDM4E
SCHEMBL4663352 0.85 CNR1 (0.45) MEN1KMT2AUSP2KDM4ETDP1
SCHEMBL4664813 0.84 HSD17B10 (0.55) SMN1; SMN2MEN1KMT2AKDM4ETSHR
SCHEMBL4664899 0.82 ALDH1A1 (0.53) SMN1; SMN2POLBKMT2AKDM4ETSHR
SCHEMBL4663356 0.76 ALDH1A1 (0.46) SMN1; SMN2POLBKMT2A
SCHEMBL4664728 0.75 TSHR (0.43) MEN1KMT2AKDM4ETSHR
SCHEMBL4664954 0.75 ALDH1A1 (0.41) SMN1; SMN2TSHR
SCHEMBL4663362 0.75 NR5A2 (0.48) USP2KDM4ETDP1
SCHEMBL4663078 0.74 PTPN1 (0.41) MEN1KMT2AKDM4ETDP1CYP2D6
SCHEMBL4666623 0.74 FKBP1A (0.49) SMN1; SMN2KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080132562-A1 TETRONIC AND TETRAMIC ACIDS GODEL THIERRY 2008-06-05 US claimed
EP-1689729-A1 TETRONIC AND TETRAMIC ACIDS AS INHIBITORS OF BETA-SECREASE F. Hoffmann-La Roche AG (CH) 2006-08-16 EP claimed
WO-2005058857-A1 TETRONIC AND TETRAMIC ACIDS AS INHIBITORS OF BETA-SECREASE F. HOFFMANN-LA ROCHE AG (CH) 2005-06-30 WO claimed
US-20050119329-A1 Tetronic and tetramic acids HOFFMANN-LA ROCHE INC. 2005-06-02 US claimed
US-20080132562-A1 TETRONIC AND TETRAMIC ACIDS GODEL THIERRY 2008-06-05 US disclosed
US-20050119329-A1 Tetronic and tetramic acids HOFFMANN-LA ROCHE INC. 2005-06-02 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 (2 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-20080132562-A1 TETRONIC AND TETRAMIC ACIDS BACE1, PSEN1, BACE2 SMN1; SMN2 1277/4885POLB 1560/4885MEN1 1292/4885
US-20050119329-A1 Tetronic and tetramic acids BACE1, PSEN1, BACE2 SMN1; SMN2 1277/4885POLB 1560/4885MEN1 1292/4885

“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.