SCHEMBL2206863

SCHEMBL2206863

COc1cccc2sc(C(=O)C3CCN(CC(O)c4ccc5c(c4)OCCO5)CC3)nc12

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.48
TP53 P04637 1/20 0.48
PDCD1 Q15116 6/20 0.41
CD274 Q9NZQ7 6/20 0.41
ADRB2 P07550 3/20 0.39
ADRB1 P08588 3/20 0.39
ADRB3 P13945 3/20 0.39
ADRA1D P25100 3/20 0.39
ADRA1A P35348 3/20 0.39
ADRA1B P35368 3/20 0.39
USP9X Q93008 1/20 0.38
ALDH1A1 P00352 4/20 0.38
TSHR P16473 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
MAPK1 P28482 1/20 0.38
MAPK10 P53779 1/20 0.38
HTT P42858 1/20 0.38
KDM4E B2RXH2 1/20 0.38
CASR P41180 1/20 0.37

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
SCHEMBL2207339 0.84 LMNA (0.49) LMNATP53PDCD1CD274ADRA1D
SCHEMBL2205465 0.84 LMNA (0.56) LMNATP53ALDH1A1TSHRSMN1; SMN2
SCHEMBL2204313 0.76 LMNA (0.52) LMNATP53PDCD1CD274ALDH1A1
SCHEMBL2204321 0.76 LMNA (0.52) LMNATP53PDCD1CD274ALDH1A1
SCHEMBL5659963 0.73 AOC3 (0.46) LMNAALDH1A1TSHRSMN1; SMN2HTT
SCHEMBL5659968 0.73 AOC3 (0.46) LMNAALDH1A1TSHRSMN1; SMN2HTT
SCHEMBL2206868 0.72 MAPT (0.32) LMNATP53ADRB2ADRB1ADRB3
SCHEMBL7843048 0.71 HTR2A (0.41) LMNATP53ALDH1A1TSHRSMN1; SMN2
SCHEMBL2204051 0.71 DYRK1A (0.49) LMNATP53ALDH1A1TSHRSMN1; SMN2
SCHEMBL2205456 0.71 HTR1D (0.57) LMNAALDH1A1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1888574-B1 NEW ANTIBIOTIC DERIVATIVES ACTELION PHARMACEUTICALS LTD (CH) 2009-09-02 EP claimed
US-20080280888-A1 Antibiotics Derivatives ACTELION PHARMACEUTICALS LTD. (CH) 2008-11-13 US claimed
EP-1888574-A2 NEW ANTIBIOTIC DERIVATIVES Actelion Pharmaceuticals Ltd. (CH) 2008-02-20 EP claimed
WO-2006126171-A2 NEW ANTIBIOTIC DERIVATIVES ACTELION PHARMACEUTICALS LTD (CH) 2006-11-30 WO claimed
US-7981886-B2 Antibiotics derivatives ACTELION PHARMACEUTICAL LTD. (CH) 2011-07-19 US disclosed
EP-1888574-B1 NEW ANTIBIOTIC DERIVATIVES ACTELION PHARMACEUTICALS LTD (CH) 2009-09-02 EP disclosed
US-20080280888-A1 Antibiotics Derivatives ACTELION PHARMACEUTICALS LTD. (CH) 2008-11-13 US disclosed
EP-1888574-A2 NEW ANTIBIOTIC DERIVATIVES Actelion Pharmaceuticals Ltd. (CH) 2008-02-20 EP disclosed
WO-2006126171-A2 NEW ANTIBIOTIC DERIVATIVES ACTELION PHARMACEUTICALS LTD (CH) 2006-11-30 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-20080280888-A1 Antibiotics Derivatives NR4A1, NR2C2, NR4A3 LMNA 2688/4885TP53 4300/4885PDCD1 3183/4885

“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.