Sugi Predict

Sugi Predict / Compounds / SCHEMBL6073739

SCHEMBL6073739

SCHEMBL6073739

CC(C)(C)OC(=O)NCC(NS(=O)(=O)c1ccc(-c2ccc(S(=O)(=O)NCCCOCCOCCOCCCNC(=O)OCc3ccccc3)cc2)cc1)C(=O)O

nearest known ligand 0.61

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ MMP2 P08253 16/20 0.61
▸ MMP9 P14780 14/20 0.61
▸ MMP1 P03956 5/20 0.59
▸ MMP3 P08254 4/20 0.59
▸ MMP7 P09237 4/20 0.59
▸ MMP13 P45452 4/20 0.59
▸ ALDH1A1 P00352 1/20 0.45
▸ TSHR P16473 1/20 0.45
▸ SYK P43405 1/20 0.44
▸ MAPT P10636 1/20 0.44
▸ MMP14 P50281 5/20 0.43
▸ ADAM10 O14672 2/20 0.43
▸ ADAM17 P78536 2/20 0.43
▸ ADAMTS4 O75173 1/20 0.43
▸ MMP8 P22894 3/20 0.42
▸ MMP12 P39900 3/20 0.42
▸ LMNA P02545 1/20 0.41
▸ SMN1; SMN2 Q16637 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
SCHEMBL4654917 0.95 MMP2 (0.56) MMP2MMP9MMP1MMP3MMP7
SCHEMBL4958777 0.91 MMP2 (0.62) MMP2MMP9MMP1MMP3MMP7
SCHEMBL5139951 0.91 MMP2 (0.62) MMP2MMP9MMP1MMP3MMP7
SCHEMBL6888752 0.86 MMP2 (0.44) MMP2MMP9MMP1MMP3MMP7
SCHEMBL14289008 0.85 MMP2 (0.57) MMP2MMP9MMP1MMP3MMP7
SCHEMBL7675980 0.82 MMP2 (0.41) MMP2MMP9MMP1MMP3MMP7
SCHEMBL4955666 0.79 MMP2 (0.42) MMP2MMP9MMP1MMP3MMP7
SCHEMBL6038379 0.78 ALDH1A1 (0.58) MMP2MMP9MMP1ALDH1A1TSHR
SCHEMBL20825713 0.76 LMNA (0.71) SYKMAPTLMNASMN1; SMN2
SCHEMBL15738439 0.76 LMNA (0.71) SYKMAPTLMNASMN1; SMN2

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-7018611-B2 Vitronectin receptor antagonist pharmaceuticals BRISTOL-MYERS SQUIBB PHARMA COMPANY (US) 2006-03-28 — — US disclosed
US-6743412-B2 ADMINISTERING TO TREAT RHEUMATOID ARTHRITIS, CANCER, RESTENOSIS BRISTOL-MYERS SQUIBB PHARMA COMPANY 2004-06-01 — — US disclosed
US-6689337-B2 TARGETING MOIETY OF A QUINOLONE NONPEPTIDE BOUND TO A CHELATOR AND ALSO BINDS TO A RECEPTOR THAT IS UPREGULATED DURING ANGIOGENESIS; IMAGING COMPOUNDS BRISTOL-MYERS SQUIBB PHARMA COMPANY 2004-02-10 — — US disclosed
US-6683163-B2 MONITORING ANGIOGENESIS FACTOR BRISTOL-MYERS SQUIBB PHARMA COMPANY 2004-01-27 — — US disclosed
US-20030232053-A1 Vitronectin receptor antagonist pharmaceuticals LANTHEUS MEDICAL IMAGING, INC. 2003-12-18 — — US disclosed
US-20030124120-A1 Quinolone vitronectin receptor antagonist pharmaceuticals HARRIS THOMAS D (US) 2003-07-03 — — 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
US-6524553-B2 A compound, comprising: a targeting moiety and a chelator, wherein the targeting moiety is bound to the chelator, is a qinolone nonpeptide, and binds to a receptor that is upregulated during angiogenesis BRISTOL-MYERS SQUIBB PHARMA COMPANY 2003-02-25 — — US disclosed
US-6511649-B1 Chemotherapeutic, a radiosensitizer agent, and a targeting moiety bound to chelator and is a quinolone nonpeptide that binds to a receptor; therapeutically effective radioisotope or diagnostically effective imageable moiety; cancer LANTHEUS MI REAL ESTATE, LLC 2003-01-28 — — US 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-20020061909-A1 Vitronectin receptor antagonist pharmaceuticals LANTHEUS MI REAL ESTATE, LLC 2002-05-23 — — US disclosed
US-20020015680-A1 QUINOLONE VITRONECTIN RECEPTOR ANTAGONIST PHARMACEUTICALS CITIZENS BANK, N.A. 2002-02-07 — — 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 (7 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-20030124120-A1 Quinolone vitronectin receptor antagonist pharmaceuticals ADGRF1, QRFPR, ADGRE5 MMP2 3195/4885MMP9 4264/4885MMP1 3713/4885
US-20030103898-A1 Simultaneous imaging of cardiac perfusion and a vitronectin receptor targeted imaging agent TNNI3, ASGR1, TNNT2 MMP2 2824/4885MMP9 2851/4885MMP1 1249/4885
US-20020015680-A1 QUINOLONE VITRONECTIN RECEPTOR ANTAGONIST PHARMACEUTICALS ADGRF1, QRFPR, ADGRE5 MMP2 3195/4885MMP9 4264/4885MMP1 3713/4885
US-20030232053-A1 Vitronectin receptor antagonist pharmaceuticals ADGRF1, RXFP1, VCAM1 MMP2 2373/4885MMP9 2630/4885MMP1 996/4885
US-20030113336-A1 Vitronectin receptor antagonist pharmaceuticals ADGRF1, RXFP1, VCAM1 MMP2 2243/4885MMP9 2451/4885MMP1 872/4885
US-20020061909-A1 Vitronectin receptor antagonist pharmaceuticals ADGRF1, RXFP1, VCAM1 MMP2 2373/4885MMP9 2630/4885MMP1 996/4885
US-20020182147-A1 VITRONECTIN RECEPTOR ANTAGONIST PHARMACEUTICALS ADGRF1, RXFP1, VCAM1 MMP2 2373/4885MMP9 2630/4885MMP1 996/4885

“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.