SCHEMBL4816648

SCHEMBL4816648

CC(=O)SCC1(C(=O)OCc2ccccc2)CCOCC1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.44
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
DDB1 Q16531 1/20 0.41
CRBN Q96SW2 1/20 0.41
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
ABCC3 O15438 1/20 0.39
NR1I2 O75469 1/20 0.39
ABCB11 O95342 1/20 0.39
NR3C1 P04150 1/20 0.39
RARG P13631 1/20 0.39
CNR1 P21554 1/20 0.39
OPRK1 P41145 1/20 0.39
NR1H2 P55055 1/20 0.39
PPARA Q07869 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
SCHEMBL24241977 0.81 MEN1 (0.50) ALDH1A1MEN1KMT2ANPSR1DDB1
SCHEMBL24241978 0.81 MEN1 (0.47) ALDH1A1MEN1KMT2ANPSR1DDB1
SCHEMBL22294005 0.80 KMT2A (0.52) ALDH1A1MEN1KMT2ANPSR1DDB1
SCHEMBL3294615 0.80 KMT2A (0.49) ALDH1A1MEN1KMT2ANPSR1DDB1
SCHEMBL23135866 0.79 MEN1 (0.48) ALDH1A1MEN1KMT2ANPSR1DDB1
SCHEMBL6782275 0.78 TSHR (0.37) ALDH1A1MEN1KMT2ANPSR1CYP3A4
SCHEMBL15114589 0.77 KMT2A (0.51) ALDH1A1MEN1KMT2ANPSR1DDB1
SCHEMBL5358863 0.77 KMT2A (0.54) ALDH1A1MEN1KMT2ANPSR1DDB1
SCHEMBL4817295 0.76 KMT2A (0.45) ALDH1A1MEN1KMT2ANPSR1DDB1
SCHEMBL1966881 0.76 KMT2A (0.52) ALDH1A1MEN1KMT2ANPSR1DDB1

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-7342020-B2 Arylpiperazines and their use as metalloproteinase inhibiting agents (MMP) ASTRAZENECA AB (SE) 2008-03-11 US disclosed
EP-1109787-B1 ARYLPIPERAZINES AND THEIR USE AS METALLOPROTEINASE INHIBITING AGENTS (MMP) ASTRAZENECA AB (SE) 2006-05-17 EP disclosed
US-20040171641-A1 Arylpiperazines and their use as metalloproteinase inhibiting agents (MMP) ASTRAZENECA AB (SE) 2004-09-02 US disclosed
US-6734184-B1 Arylpiperazines and their use as metalloproteinase inhibiting agents (MMP) ASTRAZENECA AB (SE) 2004-05-11 US disclosed
EP-1109787-A1 ARYLPIPERAZINES AND THEIR USE AS METALLOPROTEINASE INHIBITING AGENTS (MMP) AstraZeneca AB (SE) 2001-06-27 EP disclosed
WO-2000012478-A1 ARYLPIPERAZINES AND THEIR USE AS METALLOPROTEINASE INHIBITING AGENTS (MMP) ASTRAZENECA AB (SE) 2000-03-09 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-20040171641-A1 Arylpiperazines and their use as metalloproteinase inhibiting agents (MMP) MMP13, MMP25, MMP3 ALDH1A1 173/4885MEN1 4343/4885KMT2A 2279/4885

“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.