Sugi Predict

Sugi Predict / Compounds / SCHEMBL2853420

SCHEMBL2853420

SCHEMBL2853420

COC(=O)[C@H](Cc1c(Br)n(C(=O)OC(C)(C)C)c2cc(Br)c(OC)cc12)NC(C)=O

nearest known ligand 0.37

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 5/20 0.37
▸ MTNR1A P48039 5/20 0.37
▸ MTNR1B P49286 5/20 0.37
▸ AAK1 Q2M2I8 3/20 0.35
▸ RAD52 P43351 1/20 0.35
▸ KDM4E B2RXH2 4/20 0.34
▸ MAPT P10636 3/20 0.34
▸ KMT2A Q03164 3/20 0.33
▸ MEN1 O00255 2/20 0.33
▸ L3MBTL1 Q9Y468 1/20 0.33
▸ TACR1 P25103 1/20 0.33
▸ LMNA P02545 1/20 0.33
▸ GAA P10253 1/20 0.33
▸ HPGD P15428 1/20 0.33
▸ TSHR P16473 1/20 0.33
▸ P4HB P07237 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
SCHEMBL2864892 0.83 MTNR1A (0.33) MTNR1AMTNR1B
SCHEMBL2858051 0.72 MTNR1A (0.62) ALDH1A1MTNR1AMTNR1BKDM4EMAPT
SCHEMBL14219210 0.70 MTNR1A (0.52) ALDH1A1MTNR1AMTNR1BKDM4EKMT2A
SCHEMBL4393646 0.65 TAAR1 (0.47) ALDH1A1MTNR1AMTNR1BKMT2AMEN1
SCHEMBL16606375 0.65 KLK5 (0.51) ALDH1A1AAK1KDM4EMAPTKMT2A
SCHEMBL28989417 0.65 TACR1 (0.48) AAK1TACR1
SCHEMBL31393238 0.64 KMT2A (0.41) ALDH1A1MTNR1AMTNR1BAAK1KMT2A
SCHEMBL3246662 0.64 ALDH1A1 (0.47) ALDH1A1MTNR1AMTNR1BRAD52MAPT
SCHEMBL2867535 0.64 MTNR1A (0.41) ALDH1A1MTNR1AMTNR1BKDM4EMAPT
SCHEMBL28476449 0.64 ALDH1A1 (0.36) ALDH1A1MTNR1AMTNR1BRAD52KDM4E

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 ALDH1A1 2880/4885MTNR1A 42/4885MTNR1B 93/4885

“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.