SCHEMBL7044455

SCHEMBL7044455

CC(C(N)C(=O)O)C(C(F)(F)F)(C(F)(F)F)C(F)(F)F

nearest known ligand 0.48

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
SLC7A5 Q01650 2/20 0.48
SLC1A3 P43003 2/20 0.37
SLC1A2 P43004 2/20 0.37
SLC1A1 P43005 2/20 0.37
ALDH1A1 P00352 1/20 0.33
MAPT P10636 1/20 0.33
PTGS1 P23219 1/20 0.33
TP53 P04637 1/20 0.32
USP2 O75604 1/20 0.30
SLCO1B1 Q9Y6L6 1/20 0.30

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
SCHEMBL27915349 0.81 SLC7A5 (0.52) SLC7A5SLC1A3SLC1A2SLC1A1ALDH1A1
SCHEMBL4420550 0.81 SLC7A5 (0.52) SLC7A5SLC1A3SLC1A2SLC1A1ALDH1A1
SCHEMBL4426649 0.81 SLC7A5 (0.52) SLC7A5SLC1A3SLC1A2SLC1A1ALDH1A1
SCHEMBL4423815 0.81 SLC7A5 (0.52) SLC7A5SLC1A3SLC1A2SLC1A1ALDH1A1
SCHEMBL16753714 0.81 SLC7A5 (0.52) SLC7A5SLC1A3SLC1A2SLC1A1ALDH1A1
SCHEMBL4419903 0.81 SLC7A5 (0.52) SLC7A5SLC1A3SLC1A2SLC1A1ALDH1A1
SCHEMBL189158 0.81 SLC7A5 (0.52) SLC7A5SLC1A3SLC1A2SLC1A1ALDH1A1
SCHEMBL189157 0.81 SLC7A5 (0.52) SLC7A5SLC1A3SLC1A2SLC1A1ALDH1A1
Hydrochloric Acid SCHEMBL15533962 0.79 SLC7A5 (0.50) SLC7A5SLC1A3SLC1A2SLC1A1ALDH1A1
Hydrochloric Acid SCHEMBL28009300 0.79 SLC7A5 (0.50) SLC7A5SLC1A3SLC1A2SLC1A1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040091541-A1 Solid matrix therapeutic compositions UNGER EVAN C (US) 2004-05-13 US disclosed
EP-0769969-B1 GAS-FILLED MICROSPHERES WITH FLUORINE-CONTAINING SHELLS MOLECULAR BIOSYSTEMS INC (US) 2002-09-18 EP disclosed
EP-0983060-A4 SOLID POROUS MATRICES AND METHODS OF MAKING AND USING THE SAME IMARX PHARMACEUTICAL CORP (US) 2002-04-24 EP disclosed
US-20020039594-A1 SOLID POROUS MATRICES AND METHODS OF MAKING AND USING THE SAME IMARX THERAPEUTICS, INC. 2002-04-04 US disclosed
US-20010018072-A1 Solid matrix therapeutic compositions IMARX THERAPEUTICS, INC. 2001-08-30 US disclosed
EP-0983060-A1 SOLID POROUS MATRICES AND METHODS OF MAKING AND USING THE SAME IMARX PHARMACEUTICAL CORP. (US) 2000-03-08 EP disclosed
EP-0769969-A4 GAS-FILLED MICROSPHERES WITH FLUORINE-CONTAINING SHELLS MOLECULAR BIOSYSTEMS INC (US) 1999-12-29 EP disclosed
WO-1998051282-A1 SOLID POROUS MATRICES AND METHODS OF MAKING AND USING THE SAME IMARX PHARMACEUTICAL CORP. (US) 1998-11-19 WO disclosed
EP-0769969-A1 GAS-FILLED MICROSPHERES WITH FLUORINE-CONTAINING SHELLS MOLECULAR BIOSYSTEMS, INC. (US) 1997-05-02 EP disclosed
US-5562893-A USED IN ULTRASONIC IMAGING MOLECULAR BIOSYSTEMS, INC. (US) 1996-10-08 US disclosed
WO-1996004018-A1 GAS-FILLED MICROSPHERES WITH FLUORINE-CONTAINING SHELLS MOLECULAR BIOSYSTEMS, INC. (US) 1996-02-15 WO 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 (3 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-20040091541-A1 Solid matrix therapeutic compositions MMP7, MMP1, MMP17 SLC7A5 4372/4885SLC1A3 4452/4885SLC1A2 3750/4885
US-20020039594-A1 SOLID POROUS MATRICES AND METHODS OF MAKING AND USING THE SAME EXOSC9, EXOSC5, EXOSC4 SLC7A5 1602/4885SLC1A3 2954/4885SLC1A2 2693/4885
US-20010018072-A1 Solid matrix therapeutic compositions MMP7, MMP1, MMP17 SLC7A5 4372/4885SLC1A3 4452/4885SLC1A2 3750/4885

“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.