SCHEMBL4804596

SCHEMBL4804596

CC(=O)SCC(CC(C)C)C(=O)OCc1ccccc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.56
CYP3A4 P08684 1/20 0.56
CYP2D6 P10635 1/20 0.56
CYP2C9 P11712 1/20 0.56
CYP2C19 P33261 1/20 0.56
ABCC3 O15438 1/20 0.56
NR1I2 O75469 1/20 0.56
ABCB11 O95342 1/20 0.56
NR3C1 P04150 1/20 0.56
RARG P13631 1/20 0.56
CNR1 P21554 1/20 0.56
OPRK1 P41145 1/20 0.56
NR1H2 P55055 1/20 0.56
PPARA Q07869 1/20 0.56
NR1H3 Q13133 1/20 0.56
NR1I3 Q14994 1/20 0.56
ALDH1A1 P00352 1/20 0.49
HSD17B10 Q99714 1/20 0.48
MME P08473 2/20 0.47
CTSK P43235 3/20 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
SCHEMBL7293157 0.86 CYP1A2 (0.69) CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL14113245 0.82 MME (0.58) CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL4917015 0.82 MME (0.58) CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL7279732 0.80 CYP1A2 (0.52) CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL7355706 0.80 HSD17B10 (0.52) ALDH1A1HSD17B10CTSKCTSBCTSS
SCHEMBL8048833 0.80 HSD17B10 (0.52) ALDH1A1HSD17B10CTSKCTSBCTSS
SCHEMBL27556474 0.78 SLC15A1 (0.58) ALDH1A1HSD17B10CTSKCTSBCTSS
SCHEMBL27556472 0.78 SLC15A1 (0.58) ALDH1A1HSD17B10CTSKCTSBCTSS
SCHEMBL11230261 0.78 CYP1A2 (0.62) CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL10648502 0.76 CYP3A4 (0.49) CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19

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 CYP1A2 78/4885CYP3A4 328/4885CYP2D6 191/4885

“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.