SCHEMBL229507

SCHEMBL229507

NOS(=O)(=O)Cc1ccccc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.61
CA2 P00918 7/20 0.58
CA1 P00915 6/20 0.58
CA9 Q16790 4/20 0.58
CA5A P35218 1/20 0.58
PRSS1 P07477 3/20 0.52
PRSS2 P07478 3/20 0.52
PRSS3 P35030 3/20 0.52
FAAH O00519 1/20 0.52
ELANE P08246 1/20 0.52
PRTN3 P24158 1/20 0.52
F2 P00734 2/20 0.49
HTT P42858 1/20 0.47
MMP1 P03956 1/20 0.47
MMP2 P08253 1/20 0.47
MMP9 P14780 1/20 0.47
MMP8 P22894 1/20 0.47
MMP13 P45452 1/20 0.47
IDO1 P14902 1/20 0.44
CA12 O43570 2/20 0.43

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
SCHEMBL1972890 0.81 KMT2A (0.65) KMT2ACA2CA1CA9CA5A
SCHEMBL27300181 0.79 KMT2A (0.63) KMT2ACA2CA1CA9CA5A
SCHEMBL8968526 0.78 IDO1 (0.48) KMT2ACA2CA1CA9PRSS1
SCHEMBL16207220 0.78 CA2 (0.53) KMT2ACA2CA1CA9CA5A
SCHEMBL14422308 0.77 KMT2A (0.61) KMT2ACA2CA1CA9CA5A
SCHEMBL7999646 0.77 KMT2A (0.61) KMT2ACA2CA1CA9CA5A
SCHEMBL6114729 0.77 KMT2A (0.61) KMT2ACA2CA1CA9CA5A
SCHEMBL9344000 0.77 KMT2A (0.61) KMT2ACA2CA1CA9CA5A
SCHEMBL7307521 0.77 KMT2A (0.61) KMT2ACA2CA1CA9CA5A
SCHEMBL4594148 0.77 KMT2A (0.61) KMT2ACA2CA1CA9CA5A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230147312-A1 TREATMENT OF ACUTE RESPIRATORY DISTRESS SYNDROME AND RELATED CONDITIONS WITH ANTAGONISTS OF E-SELECTIN GLYCOMIMETICS, INC. (US) 2023-05-11 US claimed
US-20220220144-A1 MULTIMERIC PAN-SELECTIN ANTAGONISTS GLYCOMIMETICS, INC. (US) 2022-07-14 US claimed
WO-2021195465-A1 TREATMENT OF ACUTE RESPIRATORY DISTRESS SYNDROME AND RELATED CONDITIONS WITH ANTAGONISTS OF E-SELECTIN MAGNANI JOHN L (US) 2021-09-30 WO claimed
WO-2020219419-A1 MULTIMERIC PAN–SELECTIN ANTAGONISTS GLYCOMIMETICS, INC. (US) 2020-10-29 WO claimed
US-20200171005-A9 Heterobifunctional Pan-Selectin Antagonists Having a Triazole Linker GLYCOMIMETICS, INC. (US) 2020-06-04 US claimed
US-20180369205-A1 Heterobifunctional Pan-Selectin Antagonists Having a Triazole Linker GLYCOMIMETICS, INC. (US) 2018-12-27 US claimed
EP-2264043-B1 Heterobifunctional pan-selectin inhibitors GLYCOMIMETICS INC (US) 2017-11-08 EP claimed
US-20140178303-A1 HETEROBIFUNCTIONAL PAN-SELECTIN INHIBITORS GLYCOMIMETICS, INC. (US) 2014-06-26 US claimed
US-8530448-B2 Compounds and methods for inhibiting selectin-mediated function GLYCOMIMETICS, INC. (US) 2013-09-10 US claimed
EP-1934236-B1 HETEROBIFUNCTIONAL PAN-SELECTIN INHIBITORS GLYCOMIMETICS INC (US) 2012-11-21 EP claimed
US-20090036386-A1 Heterobifunctional compounds for selectin inhibition GLYCOMIMETICS, INC (US) 2009-02-05 US claimed
EP-1934236-A1 HETEROBIFUNCTIONAL PAN-SELECTIN INHIBITORS GlycoMimetics, Inc. (US) 2008-06-25 EP claimed
US-20070054870-A1 glycomimetics; selectin binding modulators for use in treatment ofinflammatory, autoimmune, infection, cancer, shock, thrombosis, wounds, burns, reperfusion injury, blood, leukocyte-mediated lung injury, spinal cord damage, digestive tract mucous membrane disorders, osteoporosis, arthritis and asthma GLYCOMIMETICS, INC. (US) 2007-03-08 US claimed
WO-2007028050-A1 HETEROBIFUNCTIONAL PAN-SELECTIN INHIBITORS GLYCOMIMETICS, INC. (US) 2007-03-08 WO claimed
WO-2006127906-A1 HETEROBIFUNCTIONAL COMPOUNDS FOR SELECTIN INHIBITION GLYCOMIMETICS, INC. (US) 2006-11-30 WO claimed
US-20060194745-A1 Compounds and methods for inhibiting selectin-mediated function GLYCOMIMETICS, INC. (US) 2006-08-31 US claimed
EP-1685145-A2 GLYCOMIMETIC ANTAGONISTS FOR BOTH E- AND P-SELECTINS GlycoMimetics, Inc. (US) 2006-08-02 EP claimed
US-7060685-B2 Compounds and methods for inhibiting selectin-mediated function GLYCOMIMETICS, INC. (US) 2006-06-13 US claimed
US-20050187171-A1 Glycomimetic antagonists for both E-and P-selectins GLYCOMIMETICS, INC. (US) 2005-08-25 US claimed
WO-2005054264-A2 GLYCOMIMETIC ANTAGONISTS FOR BOTH E- AND P-SELECTINS GLYCOMIMETICS, INC. (US) 2005-06-16 WO claimed

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-20090036386-A1 Heterobifunctional compounds for selectin inhibition SELE, SELL, BSG KMT2A 2610/4885CA2 2351/4885CA1 1454/4885
US-20060194745-A1 Compounds and methods for inhibiting selectin-mediated function SELE, SELL, SELP KMT2A 2401/4885CA2 2139/4885CA1 697/4885
US-20070054870-A1 glycomimetics; selectin binding modulators for use in treatment ofinflammatory, autoimmune, infection, cancer, shock, thrombosis, wounds, burns, reperfusion injury, blood, leukocyte-mediated lung injury, spinal cord damage, digestive tract mucous membrane disorders, osteoporosis, arthritis and asthma BSG, SELE, SELL KMT2A 3600/4885CA2 1710/4885CA1 671/4885
US-20140178303-A1 HETEROBIFUNCTIONAL PAN-SELECTIN INHIBITORS SELE, SELP, BSG KMT2A 2335/4885CA2 2193/4885CA1 980/4885
US-20050187171-A1 Glycomimetic antagonists for both E-and P-selectins SELE, SELP, SELPLG KMT2A 2775/4885CA2 2843/4885CA1 1958/4885
US-20200171005-A9 Heterobifunctional Pan-Selectin Antagonists Having a Triazole Linker SELE, SELP, SELPLG KMT2A 2355/4885CA2 3118/4885CA1 1451/4885
US-20220220144-A1 MULTIMERIC PAN-SELECTIN ANTAGONISTS SELE, SELP, BSG KMT2A 2324/4885CA2 2559/4885CA1 1307/4885
US-20180369205-A1 Heterobifunctional Pan-Selectin Antagonists Having a Triazole Linker SELE, SELP, SELPLG KMT2A 2355/4885CA2 3118/4885CA1 1451/4885
US-20230147312-A1 TREATMENT OF ACUTE RESPIRATORY DISTRESS SYNDROME AND RELATED CONDITIONS WITH ANTAGONISTS OF E-SELECTIN SELP, SELE, SELPLG KMT2A 3939/4885CA2 3911/4885CA1 4644/4885

“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.