SCHEMBL3075848

SCHEMBL3075848

NCC(=O)OC[C@H](N)C(=O)OC(=O)CN.N[C@@H](COC(=O)[C@@H](N)CS)C(=O)O

nearest known ligand 0.43

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PTGS1 P23219 1/20 0.43
SLC7A11 Q9UPY5 1/20 0.43
SLC1A5 Q15758 1/20 0.33
IDO1 P14902 1/20 0.31
NOS3 P29474 1/20 0.31
NOS1 P29475 1/20 0.31
NOS2 P35228 1/20 0.31

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
SCHEMBL16058499 0.91 PTGS1 (0.48) PTGS1SLC7A11SLC1A5IDO1NOS3
SCHEMBL18152975 0.88 SLC1A5 (0.37) PTGS1SLC7A11SLC1A5IDO1NOS3
SCHEMBL4851690 0.86 PTGS1 (0.39) PTGS1SLC7A11SLC1A5NOS3NOS1
Glycine SCHEMBL12500492 0.86 SLC1A5 (0.36) PTGS1SLC7A11SLC1A5IDO1NOS3
Cysteine SCHEMBL2597897 0.86 PTGS1 (0.59) PTGS1SLC7A11SLC1A5IDO1NOS3
SCHEMBL5272389 0.85 SLC1A5 (0.33) SLC1A5IDO1NOS3NOS1NOS2
Serine SCHEMBL5271395 0.85 SLC1A5 (0.34) SLC1A5IDO1
SCHEMBL17113866 0.84 PTGS1 (0.60) PTGS1SLC7A11SLC1A5IDO1NOS3
SCHEMBL8074429 0.83 PTGS1 (0.39) PTGS1SLC7A11SLC1A5NOS3NOS1
SCHEMBL4752999 0.82 SLC1A5 (0.40) PTGS1SLC7A11SLC1A5IDO1NOS3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8236510-B2 Protein showing enhanced expression in cancer cells AGENSYS, INC. (US) 2012-08-07 US disclosed
US-20100291126-A1 PROTEIN SHOWING ENHANCED EXPRESSION IN CANCER CELLS AGENSYS, INC. (US) 2010-11-18 US disclosed
US-7795391-B2 Protein showing enhanced expression in cancer cells AGENSYS, INC. (US) 2010-09-14 US disclosed
US-7361338-B2 Methods to inhibit growth of prostate cancer cells AGENSYS, INC. (US) 2008-04-22 US disclosed
US-20070270575-A1 PROTEIN SHOWING ENHANCED EXPRESSION IN CANCER CELLS AGENSYS, INC. (US) 2007-11-22 US disclosed
US-20070061901-A9 METHODS TO INHIBIT GROWTH OF PROSTATE CANCER CELLS JAKOBOVITS AYA 2007-03-15 US disclosed
US-20030213004-A1 Nucleic acids and corresponding proteins entitled 101P3A11 or PHOR-1 useful in treatment and detection of cancer AGENSYS, INC. 2003-11-13 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-20100291126-A1 PROTEIN SHOWING ENHANCED EXPRESSION IN CANCER CELLS TSG101, BCAP31, TFIP11 PTGS1 3780/4885SLC7A11 3432/4885SLC1A5 2596/4885

“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.