SCHEMBL4385496

SCHEMBL4385496

Cc1cc(OCCCC(=O)NCCNC(=O)OCc2ccccc2)cc(C)c1S(=O)(=O)N[C@@H](CN)C(=O)OC(=O)C(F)(F)F

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.40
MAPT P10636 1/20 0.40
MMP2 P08253 6/20 0.39
MMP9 P14780 6/20 0.39
ADAM10 O14672 3/20 0.38
ADAM17 P78536 3/20 0.38
HPGD P15428 3/20 0.38
MMP14 P50281 2/20 0.38
MMP1 P03956 2/20 0.37
TAAR1 Q96RJ0 1/20 0.36
HDAC3 O15379 1/20 0.36
HDAC4 P56524 1/20 0.36
HDAC1 Q13547 1/20 0.36
HDAC7 Q8WUI4 1/20 0.36
HDAC2 Q92769 1/20 0.36
HDAC10 Q969S8 1/20 0.36
HDAC11 Q96DB2 1/20 0.36
HDAC8 Q9BY41 1/20 0.36
HDAC6 Q9UBN7 1/20 0.36
HDAC9 Q9UKV0 1/20 0.36

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
Trifluoroacetic Acid SCHEMBL2274359 0.92 L3MBTL1 (0.41) L3MBTL1MAPTMMP2MMP9ADAM10
Trifluoroacetic Acid SCHEMBL4385494 0.91 ITGB3 (0.44) L3MBTL1MAPTMMP2MMP9ADAM10
Trifluoroacetic Acid SCHEMBL27589878 0.91 ITGB3 (0.44) L3MBTL1MAPTMMP2MMP9ADAM10
SCHEMBL24136485 0.90 CA1 (0.42) L3MBTL1MAPTMMP2MMP9ADAM10
SCHEMBL8313275 0.90 CA1 (0.42) L3MBTL1MAPTMMP2MMP9ADAM10
SCHEMBL17911909 0.90 CA1 (0.42) L3MBTL1MAPTMMP2MMP9ADAM10
SCHEMBL2274363 0.90 L3MBTL1 (0.40) L3MBTL1MAPTMMP2MMP9ADAM10
SCHEMBL4960020 0.89 MMP2 (0.47) L3MBTL1MAPTMMP2MMP9ADAM10
SCHEMBL19809645 0.89 MMP2 (0.47) L3MBTL1MAPTMMP2MMP9ADAM10
SCHEMBL4653743 0.87 SMN1; SMN2 (0.42) L3MBTL1MAPTMMP2MMP9ADAM10

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 27 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1622647-B1 VITRONECTIN RECEPTOR ANTAGONIST COMPOUNDS AND THEIR USE IN THE PREPARATION OF RADIOPHARMACEUTICALS LANTHEUS MEDICAL IMAGING INC (US) 2009-11-25 EP disclosed
US-20080305037-A1 LINKERS FOR ANCHORING TARGETING LIGANDS KEREOS, INC. 2008-12-11 US disclosed
EP-1307226-B1 VITRONECTIN RECEPTOR ANTAGONIST PHARMACEUTICALS LANTHEUS MEDICAL IMAGING INC (US) 2008-11-19 EP disclosed
US-7332149-B1 Vitronectin receptor antagonist pharmaceuticals BRISTOL-MYERS SQUIBB PHARMA COMPANY (US) 2008-02-19 US disclosed
US-7321045-B2 Vitronectin receptor antagonist pharmaceuticals BRISTOL-MYERS SQUIBB PHARMA COMPANY (US) 2008-01-22 US disclosed
EP-1140203-B1 VITRONECTIN RECEPTOR ANTAGONIST PHARMACEUTICALS BRISTOL MYERS SQUIBB PHARMA CO (US) 2007-05-23 EP disclosed
US-7138104-B2 Simultaneous imaging of cardiac perfusion and a vitronectin receptor targeted imaging agent BRISTOL-MYERS SQUIBB COMPANY (US) 2006-11-21 US disclosed
US-20060217292-A1 Vitronectin receptor antagonist compounds and their use in the preparation of diopharmaceuticals LANTHEUS MEDICAL IMAGING, INC. 2006-09-28 US disclosed
US-7018611-B2 Vitronectin receptor antagonist pharmaceuticals BRISTOL-MYERS SQUIBB PHARMA COMPANY (US) 2006-03-28 US disclosed
EP-1622647-A1 VITRONECTIN RECEPTOR ANTAGONIST COMPOUNDS AND THEIR USE IN THE PREPARATION OF RADIOPHARMACEUTICALS Bristol-Myers Squibb Pharma Company (US) 2006-02-08 EP disclosed
US-20030232053-A1 Vitronectin receptor antagonist pharmaceuticals LANTHEUS MEDICAL IMAGING, INC. 2003-12-18 US disclosed
US-20030113336-A1 Vitronectin receptor antagonist pharmaceuticals LANTHEUS HOLDINGS, INC. 2003-06-19 US disclosed
US-20030103898-A1 Simultaneous imaging of cardiac perfusion and a vitronectin receptor targeted imaging agent LANTHEUS MEDICAL IMAGING, INC. 2003-06-05 US disclosed
EP-1311301-A2 STABLE RADIOPHARMACEUTICAL COMPOSITIONS AND METHODS FOR PREPARATION THEREOF Bristol-Myers Squibb Pharma Company (US) 2003-05-21 EP disclosed
US-6511648-B2 Diagnosis, therapy cancer BRISTOL-MYERS SQUIBB PHARMA COMPANY 2003-01-28 US disclosed
US-20020182147-A1 VITRONECTIN RECEPTOR ANTAGONIST PHARMACEUTICALS LANTHEUS MI REAL ESTATE, LLC 2002-12-05 US disclosed
US-20020122768-A1 Stable radiopharmaceutical compositions and methods for preparation thereof LANTHEUS MEDICAL IMAGING, INC. 2002-09-05 US disclosed
US-20020061909-A1 Vitronectin receptor antagonist pharmaceuticals LANTHEUS MI REAL ESTATE, LLC 2002-05-23 US disclosed
US-20020041878-A1 Vitronectin receptor antagonist pharmaceuticals LANTHEUS MEDICAL IMAGING, INC. 2002-04-11 US disclosed
WO-2002004030-A2 STABLE RADIOPHARMACEUTICAL COMPOSITIONS BRISTOL-MYERS SQUIBB PHARMA COMPANY (US) 2002-01-17 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 (9 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-20030103898-A1 Simultaneous imaging of cardiac perfusion and a vitronectin receptor targeted imaging agent TNNI3, ASGR1, TNNT2 L3MBTL1 3874/4885MAPT 3050/4885MMP2 2824/4885
US-20080305037-A1 LINKERS FOR ANCHORING TARGETING LIGANDS LDLR, HDLBP, FABP1 L3MBTL1 512/4885MAPT 2077/4885MMP2 4079/4885
US-20060217292-A1 Vitronectin receptor antagonist compounds and their use in the preparation of diopharmaceuticals TEK, KDR, EDNRA L3MBTL1 4672/4885MAPT 2569/4885MMP2 2198/4885
US-20020041878-A1 Vitronectin receptor antagonist pharmaceuticals ADGRF1, RXFP1, VCAM1 L3MBTL1 3077/4885MAPT 4562/4885MMP2 2243/4885
US-20020122768-A1 Stable radiopharmaceutical compositions and methods for preparation thereof AHR, PAH, TYR L3MBTL1 4118/4885MAPT 587/4885MMP2 4261/4885
US-20030232053-A1 Vitronectin receptor antagonist pharmaceuticals ADGRF1, RXFP1, VCAM1 L3MBTL1 2840/4885MAPT 4584/4885MMP2 2373/4885
US-20030113336-A1 Vitronectin receptor antagonist pharmaceuticals ADGRF1, RXFP1, VCAM1 L3MBTL1 3077/4885MAPT 4562/4885MMP2 2243/4885
US-20020061909-A1 Vitronectin receptor antagonist pharmaceuticals ADGRF1, RXFP1, VCAM1 L3MBTL1 2840/4885MAPT 4584/4885MMP2 2373/4885
US-20020182147-A1 VITRONECTIN RECEPTOR ANTAGONIST PHARMACEUTICALS ADGRF1, RXFP1, VCAM1 L3MBTL1 2840/4885MAPT 4584/4885MMP2 2373/4885

“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.