SCHEMBL2206899

SCHEMBL2206899

CCOc1cccc2sc(C(=O)C3CCC(NCc4ccc5c(c4)NC(=O)CO5)CC3)nc12

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MMP8 P22894 4/20 0.41
MMP13 P45452 4/20 0.41
LMNA P02545 1/20 0.40
PARP1 P09874 3/20 0.40
HTR1D P28221 6/20 0.39
MAPT P10636 1/20 0.39
HTR1A P08908 5/20 0.39
HTR1B P28222 4/20 0.39
TP53 P04637 1/20 0.39
MAOA P21397 1/20 0.39
ADRB1 P08588 1/20 0.38
DRD2 P14416 1/20 0.38
HTR2A P28223 1/20 0.38
SLC6A4 P31645 1/20 0.38
HTR7 P34969 1/20 0.38
DRD3 P35462 1/20 0.38
HTR2B P41595 1/20 0.38
GAA P10253 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
SCHEMBL2206894 1.00 MMP8 (0.41) MMP8MMP13LMNAPARP1HTR1D
SCHEMBL2208701 0.93 MMP8 (0.43) MMP8MMP13LMNAPARP1HTR1D
SCHEMBL2208706 0.93 MMP8 (0.43) MMP8MMP13LMNAPARP1HTR1D
SCHEMBL2204406 0.86 MAPT (0.40) LMNAMAPT
SCHEMBL2204404 0.86 MAPT (0.40) LMNAMAPT
SCHEMBL2207689 0.86 KCNH2 (0.46) LMNAMAPTTP53
SCHEMBL2207697 0.86 KCNH2 (0.46) LMNAMAPTTP53
SCHEMBL2206278 0.84 PARP1 (0.47) MMP8MMP13PARP1HTR1DMAPT
SCHEMBL2206281 0.84 PARP1 (0.47) MMP8MMP13PARP1HTR1DMAPT
SCHEMBL2206522 0.81 KCNH2 (0.44) MMP8MMP13MAPTMAOADRD2

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 5 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
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

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 MMP8 1588/4885MMP13 2612/4885LMNA 2688/4885

“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.