SCHEMBL3318601

SCHEMBL3318601

N[C@@H](CS)C(=O)OC(c1ccccc1)(c1ccccc1)c1ccccc1Cl

nearest known ligand 0.48

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 16/20 0.48
KCNN4 O15554 1/20 0.40
HTR2A P28223 1/20 0.35
HTR2C P28335 1/20 0.35
ADRA1A P35348 1/20 0.35
OPRK1 P41145 1/20 0.35
KCNH2 Q12809 1/20 0.35
MMP2 P08253 1/20 0.34

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
SCHEMBL232514 0.86 KIF11 (0.42) KIF11MMP2
SCHEMBL23125118 0.86 KIF11 (0.47) KIF11KCNN4
SCHEMBL23125119 0.86 KIF11 (0.47) KIF11KCNN4
SCHEMBL21998928 0.85 KIF11 (0.37) KIF11
SCHEMBL5053673 0.82 KIF11 (0.45) KIF11KCNN4HTR2AHTR2CADRA1A
SCHEMBL15761360 0.80 KIF11 (0.42) KIF11KCNN4
SCHEMBL28773128 0.77 KIF11 (0.40) KIF11KCNN4HTR2AHTR2CADRA1A
SCHEMBL18326682 0.77 KIF11 (0.61) KIF11
SCHEMBL12694858 0.77 KIF11 (0.61) KIF11
SCHEMBL17083023 0.77 KIF11 (0.61) KIF11

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9731035-B2 Method of imaging osteoarthritis using a folate conjugate PURDUE RESEARCH FOUNDATION (US) 2017-08-15 US disclosed
EP-1904183-B1 Pharmaceutical composition for the treatment of osteoarthritis PURDUE RESEARCH FOUNDATION (US) 2014-10-15 EP disclosed
US-8765096-B2 Methods and compositions for treating and diagnosing kidney disease ENDOCYTE, INC (US) 2014-07-01 US disclosed
US-20140065066-A1 IMAGING AND THERAPEUTIC METHOD USING MONOCYTES PURDUE RESEARCH FOUNDATION (US) 2014-03-06 US disclosed
US-20130266964-A1 METHOD OF DETECTING ENDOTHELIAL PROGENITOR CELLS PURDUE RESEARCH FOUNDATION (US) 2013-10-10 US disclosed
US-20120270791-A1 Methods and Compositions for Treating and Diagnosing Kidney Disease LEAMON CHRISTOPHER PAUL (US) 2012-10-25 US disclosed
US-20100226967-A1 IMAGING AND THERAPEUTIC METHOD USING PROGENITOR CELLS PURDUE RESEARCH FOUNDATION (US) 2010-09-09 US disclosed
US-20100104626-A1 METHODS AND COMPOSITIONS FOR TREATING AND DIAGNOSING KIDNEY DISEASE ENDOCYTE, INC. (US) 2010-04-29 US disclosed
US-20090214636-A1 Imaging and Therapeutic Method Using Monocytes LOW PHILIP S 2009-08-27 US disclosed
WO-2008101231-A2 METHODS AND COMPOSITIONS FOR TREATING AND DIAGNOSING KIDNEY DISEASE ENDOCYTE, INC. (US) 2008-08-21 WO disclosed
EP-1904183-A2 IMAGING AND THERAPEUTIC METHOD USING MONOCYTES Purdue Research Foundation (US) 2008-04-02 EP disclosed
WO-2007139815-A2 IMAGING AND THERAPEUTIC METHOD USING PROGENITOR CELLS PURDUE RESEARCH FOUNDATION (US) 2007-12-06 WO disclosed
US-20070009434-A1 Imaging and therapeutic method using monocytes PURDUE RESEARCH FOUNDATION 2007-01-11 US disclosed
WO-2007006041-A2 IMAGING AND THERAPEUTIC METHOD USING MONOCYTES PURDUE RESEARCH FOUNDATION (US) 2007-01-11 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-20100226967-A1 IMAGING AND THERAPEUTIC METHOD USING PROGENITOR CELLS CD44, MYADM, ANTXR2 KIF11 2419/4885KCNN4 3841/4885HTR2A 4820/4885
US-20100104626-A1 METHODS AND COMPOSITIONS FOR TREATING AND DIAGNOSING KIDNEY DISEASE VDR, GC, CYP24A1 KIF11 1543/4885KCNN4 2236/4885HTR2A 4656/4885
US-20120270791-A1 Methods and Compositions for Treating and Diagnosing Kidney Disease VDR, GC, CYP24A1 KIF11 1543/4885KCNN4 2236/4885HTR2A 4656/4885
US-20090214636-A1 Imaging and Therapeutic Method Using Monocytes CD14, MYADM, CD68 KIF11 1528/4885KCNN4 4055/4885HTR2A 4450/4885
US-20070009434-A1 Imaging and therapeutic method using monocytes CD14, MYADM, CD68 KIF11 1528/4885KCNN4 4055/4885HTR2A 4450/4885
US-20140065066-A1 IMAGING AND THERAPEUTIC METHOD USING MONOCYTES CD14, MYADM, CD68 KIF11 1528/4885KCNN4 4055/4885HTR2A 4450/4885

“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.