SCHEMBL4398295

SCHEMBL4398295

N[C@@H](CC(F)(F)Cc1ccccc1)C(=O)O

nearest known ligand 0.55

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALPI P09923 1/20 0.55
PKM P14618 1/20 0.55
PTGS1 P23219 1/20 0.55
XIAP P98170 1/20 0.55
SLC7A5 Q01650 1/20 0.55
KIF11 P52732 13/20 0.51
SLC1A3 P43003 1/20 0.47
SLC1A2 P43004 1/20 0.47
SLC1A1 P43005 1/20 0.47
GRIK1 P39086 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
HIF1A Q16665 1/20 0.46
PTPN1 P18031 1/20 0.44
GRB2 P62993 1/20 0.44

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
SCHEMBL4398300 1.00 ALPI (0.55) ALPIPKMPTGS1XIAPSLC7A5
Hydrochloric Acid SCHEMBL2344672 0.98 ALPI (0.53) ALPIPKMPTGS1XIAPSLC7A5
Hydrochloric Acid SCHEMBL2344664 0.98 ALPI (0.53) ALPIPKMPTGS1XIAPSLC7A5
Bromide SCHEMBL2192294 0.98 ALPI (0.53) ALPIPKMPTGS1XIAPSLC7A5
Hydrochloric Acid SCHEMBL2340160 0.85 KIF11 (0.49) ALPIPKMPTGS1XIAPSLC7A5
Hydrochloric Acid SCHEMBL2340166 0.85 KIF11 (0.49) ALPIPKMPTGS1XIAPSLC7A5
SCHEMBL19644692 0.83 KIF11 (0.57) ALPIPKMPTGS1XIAPSLC7A5
SCHEMBL3196850 0.83 TSHR (0.52) SLC7A5KIF11SMN1; SMN2HIF1APTPN1
SCHEMBL346992 0.83 TSHR (0.52) SLC7A5KIF11SMN1; SMN2HIF1APTPN1
SCHEMBL1835145 0.83 ALPI (0.55) ALPIPKMPTGS1XIAPSLC7A5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10668175-B2 Cathepsin-binding compounds bound to a carrier and their diagnostic use J. STEFAN INSTITUTE (SI) 2020-06-02 US disclosed
EP-2723387-B1 CATHEPSIN-BINDING COMPOUND BOUND TO A LIPOSOME AND ITS DIAGNOSTIC AND THERAPEUTIC USE J STEFAN INST (SI) 2018-04-18 EP disclosed
US-20180085479-A1 CATHEPSIN-BINDING COMPOUNDS BOUND TO A CARRIER AND THEIR DIAGNOSTIC USE J. STEFAN INSTITUTE (SI) 2018-03-29 US disclosed
US-20180085479-A1 CATHEPSIN-BINDING COMPOUNDS BOUND TO A CARRIER AND THEIR DIAGNOSTIC USE J. STEFAN INSTITUTE (SI) 2018-03-29 US disclosed
US-9827337-B2 Cathepsin-binding compounds bound to a carrier and their diagnostic use J. STEFAN INSTITUTE (SI) 2017-11-28 US disclosed
US-9827337-B2 Cathepsin-binding compounds bound to a carrier and their diagnostic use J. STEFAN INSTITUTE (SI) 2017-11-28 US disclosed
US-20140227175-A1 CATHEPSIN-BINDING COMPOUNDS BOUND TO A CARRIER AND THEIR DIAGNOSTIC USE J. STEFAN INSTITUTE (SI) 2014-08-14 US disclosed
US-20140227175-A1 CATHEPSIN-BINDING COMPOUNDS BOUND TO A CARRIER AND THEIR DIAGNOSTIC USE J. STEFAN INSTITUTE (SI) 2014-08-14 US disclosed
US-20140073662-A1 Spirocyclic nitriles as protease inhibitors SANOFI (FR) 2014-03-13 US disclosed
US-8609681-B2 Spirocyclic nitriles as protease inhibitors SANOFI (FR) 2013-12-17 US disclosed
WO-2012175223-A1 CATHEPSIN-BINDING COMPOUNDS BOUND TO A CARRIER AND THEIR DIAGNOSTIC USE J. STEFAN INSTITUTE (SI) 2012-12-27 WO disclosed
US-20090275523-A1 Spirocyclic nitriles as protease inhibitors SANOFI-AVENTIS (FR) 2009-11-05 US disclosed
EP-1490341-A1 NOVEL ADAMANTANE DERIVATIVES AstraZeneca AB (SE) 2004-12-29 EP disclosed
US-20040142999-A1 Novel compounds and compositions as cathepsin inhibitors AVENTIS PHARMACEUTICALS INC. (US) 2004-07-22 US disclosed
EP-1397340-A2 CHEMICAL COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS AS CATHEPSIN S INHIBITORS AXYS PHARMACEUTICALS, INC. (US) 2004-03-17 EP disclosed
WO-2003080579-A1 NOVEL ADAMANTANE DERIVATIVES ASTRAZENECA AB (SE) 2003-10-02 WO disclosed
WO-2002098850-A2 CHEMICAL COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS AS CATHEPSIN S INHIBITORS AXYS PHARMACEUTICALS, INC. (US) 2002-12-12 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 (6 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-20090275523-A1 Spirocyclic nitriles as protease inhibitors CTRL, SERPINB1, PREP ALPI 816/4885PKM 2089/4885PTGS1 149/4885
US-10668175-B2 Cathepsin-binding compounds bound to a carrier and their diagnostic use CTSB, CTSV, CTSE ALPI 2979/4885PKM 4328/4885PTGS1 1103/4885
US-20140227175-A1 CATHEPSIN-BINDING COMPOUNDS BOUND TO A CARRIER AND THEIR DIAGNOSTIC USE CTSB, CTSV, CTSE ALPI 2979/4885PKM 4328/4885PTGS1 1103/4885
US-20140073662-A1 Spirocyclic nitriles as protease inhibitors CTRL, SERPINB1, PREP ALPI 816/4885PKM 2089/4885PTGS1 149/4885
US-20040142999-A1 Novel compounds and compositions as cathepsin inhibitors CTSS, CTSB, CTSE ALPI 723/4885PKM 4622/4885PTGS1 1681/4885
US-20180085479-A1 CATHEPSIN-BINDING COMPOUNDS BOUND TO A CARRIER AND THEIR DIAGNOSTIC USE CTSB, CTSV, CTSE ALPI 2979/4885PKM 4328/4885PTGS1 1103/4885

“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.