SCHEMBL2864892

SCHEMBL2864892

COC(=O)[C@H](Cc1c(Br)n(C(=O)OC(C)(C)C)c2cc(Br)c(OC)c(Br)c12)NC(C)=O

nearest known ligand 0.33

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 1/20 0.33
MTNR1B P49286 1/20 0.33
KLK5 Q9Y337 1/20 0.32
YAP1 P46937 1/20 0.32

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
SCHEMBL2853420 0.83 ALDH1A1 (0.37) MTNR1AMTNR1B
SCHEMBL2863638 0.78 HDAC1 (0.30)
SCHEMBL2858711 0.78 ALDH1A1 (0.31)
SCHEMBL2861249 0.77 PLA2G2A (0.44) MTNR1AMTNR1B
SCHEMBL2858297 0.72 MTNR1A (0.41) MTNR1AMTNR1B
SCHEMBL4389660 0.68 MTNR1A (0.42) MTNR1AMTNR1B
SCHEMBL4385656 0.67 CA2 (0.35)
SCHEMBL23605356 0.64 KLK5 (0.47) KLK5
SCHEMBL30250286 0.64 KLK5 (0.47) KLK5
SCHEMBL28956935 0.64 KLK5 (0.47) KLK5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1911744-B1 TRYPTOPHAN DERIVATIVE AND USE THEREOF SOMEI MASANORI (JP) 2013-09-04 EP disclosed
US-7659304-B2 Tryptophan derivative and application thereof SOMEI MASANORI 2010-02-09 US disclosed
US-7659304-B2 Tryptophan derivative and application thereof SOMEI MASANORI 2010-02-09 US disclosed
US-7659304-B2 Tryptophan derivative and application thereof SOMEI MASANORI 2010-02-09 US disclosed
US-20090054511-A1 Tryptophan derivative and application thereof SOMEI MASANORI 2009-02-26 US disclosed
US-20090054511-A1 Tryptophan derivative and application thereof SOMEI MASANORI 2009-02-26 US disclosed
US-20090054511-A1 Tryptophan derivative and application thereof SOMEI MASANORI 2009-02-26 US disclosed
EP-1911744-A1 TRYPTOPHAN DERIVATIVE AND USE THEREOF Somei, Masanori (JP) 2008-04-16 EP 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-20090054511-A1 Tryptophan derivative and application thereof TPH1, TPH2, AHR MTNR1A 42/4885MTNR1B 93/4885KLK5 2805/4885

“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.