SCHEMBL4960020

SCHEMBL4960020

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

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 6/20 0.47
MMP9 P14780 6/20 0.47
MMP1 P03956 2/20 0.44
MMP3 P08254 1/20 0.44
MMP7 P09237 1/20 0.44
MMP13 P45452 1/20 0.44
L3MBTL1 Q9Y468 2/20 0.43
HPGD P15428 1/20 0.42
MAPT P10636 1/20 0.42
ADAM10 O14672 3/20 0.42
ADAM17 P78536 3/20 0.42
MMP14 P50281 2/20 0.42
ITGB3 P05106 5/20 0.41
ITGA2B P08514 5/20 0.41
TAAR1 Q96RJ0 1/20 0.41
HDAC3 O15379 1/20 0.41
HDAC4 P56524 1/20 0.41
HDAC1 Q13547 1/20 0.41
HDAC7 Q8WUI4 1/20 0.41
HDAC2 Q92769 1/20 0.41

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
SCHEMBL19809645 1.00 MMP2 (0.47) MMP2MMP9MMP1MMP3MMP7
Trifluoroacetic Acid SCHEMBL27589878 0.95 ITGB3 (0.44) MMP2MMP9MMP1MMP3MMP7
Trifluoroacetic Acid SCHEMBL4385494 0.95 ITGB3 (0.44) MMP2MMP9MMP1MMP3MMP7
SCHEMBL4957686 0.94 MMP2 (0.46) MMP2MMP9MMP1MMP3MMP7
SCHEMBL24136485 0.94 CA1 (0.42) MMP2MMP9MMP1MMP3MMP7
SCHEMBL8313275 0.94 CA1 (0.42) MMP2MMP9MMP1MMP3MMP7
SCHEMBL17911909 0.94 CA1 (0.42) MMP2MMP9MMP1MMP3MMP7
Trifluoroacetic Acid SCHEMBL2274359 0.90 L3MBTL1 (0.41) MMP2MMP9MMP1MMP3MMP7
SCHEMBL4385496 0.89 L3MBTL1 (0.40) MMP2MMP9MMP1MMP3MMP7
SCHEMBL4653743 0.89 SMN1; SMN2 (0.42) MMP2MMP9MMP1MMP3MMP7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4059936-A1 METHOD FOR MANUFACTURING NOVEL NITROGEN-CONTAINING COMPOUND OR SALT THEREOF AND MANUFACTURING INTERMEDIATE OF NOVEL NITROGEN-CONTAINING COMPOUND OR SALT THEREOF FUJIFILM Corporation (JP) 2022-09-21 EP disclosed
EP-3275883-B1 METHOD FOR PRODUCING NOVEL NITROGEN-CONTAINING COMPOUND OR SALT THEREOF, AND PRODUCTION INTERMEDIATE OF SAME FUJIFILM CORP (JP) 2021-06-02 EP disclosed
EP-3275883-A1 METHOD FOR PRODUCING NOVEL NITROGEN-CONTAINING COMPOUND OR SALT THEREOF, AND PRODUCTION INTERMEDIATE OF SAME FUJIFILM Corporation (JP) 2018-01-31 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-20050154185-A1 Vitronectin receptor antagonist pharmaceuticals BRISTOL-MYERS SQUIBB PHARMA COMPANY 2005-07-14 US disclosed
US-6838074-B2 Simultaneous imaging of cardiac perfusion and a vitronectin receptor targeted imaging agent BRISTOL-MYERS SQUIBB COMPANY (US) 2005-01-04 US disclosed
US-20040208823-A1 SIMULTANEOUS IMAGING OF CARDIAC PERFUSION AND A VITRONECTIN RECEPTOR TARGETED IMAGING AGENT LANTHEUS MEDICAL IMAGING, INC. 2004-10-21 US disclosed
US-6794518-B1 Vitronectin receptor antagonist pharmaceuticals BRISTOL-MYERS SQUIBB PHARMA COMPANY 2004-09-21 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 (2 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-20040208823-A1 SIMULTANEOUS IMAGING OF CARDIAC PERFUSION AND A VITRONECTIN RECEPTOR TARGETED IMAGING AGENT TNNI3, ASGR1, TNNT2 MMP2 2824/4885MMP9 2851/4885MMP1 1249/4885
US-20050154185-A1 Vitronectin receptor antagonist pharmaceuticals ADGRF1, RXFP1, VCAM1 MMP2 2529/4885MMP9 2180/4885MMP1 1065/4885

“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.