SCHEMBL2208701

SCHEMBL2208701

COc1cccc2sc(C(=O)[C@H]3CC[C@H](NCc4ccc5c(c4)NC(=O)CO5)CC3)nc12

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MMP8 P22894 4/20 0.43
MMP13 P45452 4/20 0.43
PARP1 P09874 3/20 0.41
HTR1D P28221 5/20 0.40
HTR1A P08908 3/20 0.40
HTR1B P28222 3/20 0.40
MAOA P21397 1/20 0.40
MEN1 O00255 1/20 0.40
ALDH1A1 P00352 1/20 0.40
MAPT P10636 1/20 0.40
KMT2A Q03164 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
THRB P10828 2/20 0.39
GAA P10253 1/20 0.39
TRPV1 Q8NER1 1/20 0.39
LMNA P02545 1/20 0.39
TP53 P04637 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
SCHEMBL2208706 1.00 MMP8 (0.43) MMP8MMP13PARP1HTR1DHTR1A
SCHEMBL2206894 0.93 MMP8 (0.41) MMP8MMP13PARP1HTR1DHTR1A
SCHEMBL2206899 0.93 MMP8 (0.41) MMP8MMP13PARP1HTR1DHTR1A
SCHEMBL2205777 0.86 HTR1D (0.45) MMP8MMP13PARP1HTR1DHTR1A
SCHEMBL2205783 0.86 HTR1D (0.45) MMP8MMP13PARP1HTR1DHTR1A
SCHEMBL2206278 0.86 PARP1 (0.47) MMP8MMP13PARP1HTR1DHTR1A
SCHEMBL2206281 0.86 PARP1 (0.47) MMP8MMP13PARP1HTR1DHTR1A
SCHEMBL2206545 0.85 KMT2A (0.42) MEN1ALDH1A1KMT2ALMNA
SCHEMBL2206548 0.85 KMT2A (0.42) MEN1ALDH1A1KMT2ALMNA
SCHEMBL2204313 0.85 LMNA (0.52) MEN1ALDH1A1MAPTKMT2AGAA

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 2612/4885PARP1 3414/4885

“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.