SCHEMBL7599894

SCHEMBL7599894

COC(=O)CCc1ccc2c(CC(N)C(=O)OC(C)(C)C)occ2c1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 3/20 0.33
LTA4H P09960 1/20 0.33
ADRB2 P07550 1/20 0.33
ADRB1 P08588 1/20 0.33
SIRT2 Q8IXJ6 1/20 0.32
SLC7A5 Q01650 2/20 0.32
KDM4E B2RXH2 1/20 0.31
NPC1 O15118 1/20 0.31
LMNA P02545 1/20 0.31
TP53 P04637 1/20 0.31
CYP1A2 P05177 1/20 0.31
CYP3A4 P08684 1/20 0.31
MAPT P10636 1/20 0.31
MAOA P21397 1/20 0.31
SLC6A2 P23975 1/20 0.31
RAB9A P51151 1/20 0.31
SLC6A3 Q01959 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
VDR P11473 1/20 0.31
PPARD Q03181 1/20 0.31

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
SCHEMBL6977333 0.86 SLC7A5 (0.44) PTPN1SIRT2SLC7A5KDM4ENPC1
SCHEMBL7230948 0.81 CA12 (0.37) PTPN1LMNATP53MAPTRAB9A
SCHEMBL7231340 0.80 CASP1 (0.47) KDM4ELMNAALDH1A1
SCHEMBL7223447 0.80 ALDH1A1 (0.41) KDM4EMAPTIDO1ALDH1A1
SCHEMBL7228562 0.79 LMNA (0.37) PTPN1LTA4HADRB2ADRB1LMNA
SCHEMBL6973856 0.77 CA12 (0.37) PTPN1LMNATP53MAPTRAB9A
SCHEMBL7224793 0.76 TDP1 (0.36) PTPN1LMNATP53MAPTRAB9A
SCHEMBL6967105 0.72 CASP1 (0.50) ALDH1A1
SCHEMBL6978547 0.72 ALDH1A1 (0.52) KDM4EMAPTIDO1ALDH1A1
SCHEMBL7228564 0.69 SLC7A5 (0.41) PTPN1SIRT2SLC7A5KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20020187976-A1 New benzofurane derivatives, their preparation process, their use as medicaments and the pharmaceutical compositions containing them AVENTIS PHARMA S.A. 2002-12-12 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 (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-20020187976-A1 New benzofurane derivatives, their preparation process, their use as medicaments and the pharmaceutical compositions containing them CYP2F1, CYP2C19, CYP2B6 PTPN1 4144/4885LTA4H 1075/4885ADRB2 482/4885

“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.