SCHEMBL2861249

SCHEMBL2861249

COC(=O)[C@H](Cc1c(Br)n(Cc2ccccc2)c2cc(Br)c(OC)c(Br)c12)NC(C)=O

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PLA2G2A P14555 3/20 0.44
MTNR1A P48039 2/20 0.41
MTNR1B P49286 2/20 0.41
CYP2C9 P11712 2/20 0.40
CYP2C19 P33261 2/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2D6 P10635 1/20 0.40
TACR1 P25103 1/20 0.39
OPRK1 P41145 4/20 0.38
ATM Q13315 1/20 0.38
POLB P06746 2/20 0.37
ALDH1A1 P00352 1/20 0.37
THRB P10828 1/20 0.37
HSD17B10 Q99714 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
SCHEMBL2863638 0.83 HDAC1 (0.30)
SCHEMBL2858711 0.83 ALDH1A1 (0.31) ALDH1A1
SCHEMBL2864892 0.77 MTNR1A (0.33) MTNR1AMTNR1B
SCHEMBL2858297 0.71 MTNR1A (0.41) MTNR1AMTNR1BTACR1ALDH1A1
SCHEMBL1884230 0.70 ATM (0.68) CYP2C9CYP2C19TACR1ATMPOLB
SCHEMBL1879654 0.70 ATM (0.68) CYP2C9CYP2C19TACR1ATMPOLB
SCHEMBL803579 0.70 ATM (0.68) CYP2C9CYP2C19TACR1ATMPOLB
SCHEMBL2153385 0.68 TACR1 (0.46) CYP2C9CYP2C19TACR1OPRK1ATM
SCHEMBL30082804 0.68 TACR1 (0.46) CYP2C9CYP2C19TACR1OPRK1ATM
SCHEMBL6663466 0.66 HDAC1 (0.52) CYP2C9CYP2C19TACR1ATMPOLB

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 PLA2G2A 2102/4885MTNR1A 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.