SCHEMBL3297268

SCHEMBL3297268

O=C(Nc1ccc(S(=O)(=O)O)c2cc(S(=O)(=O)O)cc(S(=O)(=O)O)c12)c1ccc(-c2ccc([N+](=O)[O-])cc2)cc1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TIMP3 P35625 5/20 0.66
CD40 P25942 3/20 0.64
CD40LG P29965 3/20 0.64
KMT2A Q03164 5/20 0.58
RECQL P46063 4/20 0.58
HSD17B10 Q99714 4/20 0.58
TDP1 Q9NUW8 4/20 0.58
ALDH1A1 P00352 4/20 0.58
MEN1 O00255 2/20 0.58
USP2 O75604 2/20 0.58
MAPT P10636 5/20 0.53
HPSE Q9Y251 4/20 0.53
PKM P14618 3/20 0.53
P2RX1 P51575 3/20 0.53
P2RX3 P56373 3/20 0.53
P2RY11 Q96G91 2/20 0.53
ENPP3 O14638 1/20 0.53
ENTPD3 O75355 1/20 0.53
NR1I2 O75469 1/20 0.53
PRKD3 O94806 1/20 0.53

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
SCHEMBL10413972 0.88 TIMP3 (0.58) TIMP3CD40CD40LGKMT2ARECQL
SCHEMBL11593396 0.88 TIMP3 (0.63) TIMP3CD40CD40LGKMT2ARECQL
SCHEMBL30388456 0.85 KMT2A (0.69) TIMP3CD40CD40LGKMT2ARECQL
SCHEMBL7613478 0.85 KMT2A (0.69) TIMP3CD40CD40LGKMT2ARECQL
SCHEMBL18211300 0.85 TIMP3 (0.60) TIMP3CD40CD40LGKMT2ARECQL
SCHEMBL18211297 0.85 CD40 (0.52) TIMP3CD40CD40LGKMT2ARECQL
SCHEMBL14557795 0.85 TIMP3 (0.71) TIMP3CD40CD40LGKMT2ARECQL
SCHEMBL11432549 0.84 TIMP3 (0.55) TIMP3CD40CD40LGKMT2ARECQL
SCHEMBL11429449 0.84 TIMP3 (0.55) TIMP3CD40CD40LGKMT2ARECQL
SCHEMBL11757962 0.83 CD40 (0.66) TIMP3CD40CD40LGKMT2ARECQL

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160361332-A1 HETEROBIFUNCTIONAL PAN-SELECTIN INHIBITORS GLYCOMIMETICS INC (US) 2016-12-15 US disclosed
US-20140178303-A1 HETEROBIFUNCTIONAL PAN-SELECTIN INHIBITORS GLYCOMIMETICS, INC. (US) 2014-06-26 US disclosed
US-8633303-B2 Heterobifunctional pan-selectin inhibitors GLYCOMIMETICS, INC. (US) 2014-01-21 US disclosed
US-8530448-B2 Compounds and methods for inhibiting selectin-mediated function GLYCOMIMETICS, INC. (US) 2013-09-10 US disclosed
US-20100279958-A1 COMPOUNDS AND METHODS FOR INHIBITING SELECTIN-MEDIATED FUNCTION GLYCOMIMETICS, INC. (US) 2010-11-04 US disclosed
US-7741312-B2 Compounds and methods for inhibiting selectin-mediated function GLYCOMIMETICS, INC. (US) 2010-06-22 US disclosed
US-7361644-B2 Specific antagonist for both E- and P-selectins GLYCOMIMETICS, INC. (US) 2008-04-22 US disclosed
EP-1763533-B1 SPECIFIC ANTAGONIST FOR BOTH E- AND P-SELECTINS GLYCOMIMETICS INC (US) 2008-01-09 EP disclosed
EP-1763533-A2 SPECIFIC ANTAGONIST FOR BOTH E- AND P-SELECTINS GlycoMimetics, Inc. (US) 2007-03-21 EP disclosed
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 disclosed
US-20060194745-A1 Compounds and methods for inhibiting selectin-mediated function GLYCOMIMETICS, INC. (US) 2006-08-31 US disclosed
EP-1685145-A2 GLYCOMIMETIC ANTAGONISTS FOR BOTH E- AND P-SELECTINS GlycoMimetics, Inc. (US) 2006-08-02 EP disclosed
US-7060685-B2 Compounds and methods for inhibiting selectin-mediated function GLYCOMIMETICS, INC. (US) 2006-06-13 US disclosed
US-20050187171-A1 Glycomimetic antagonists for both E-and P-selectins GLYCOMIMETICS, INC. (US) 2005-08-25 US disclosed
US-20050164982-A1 Specific antagonist for both E- and P-selectins GLYCOMIMETICS, INC. (US) 2005-07-28 US disclosed
WO-2005054264-A2 GLYCOMIMETIC ANTAGONISTS FOR BOTH E- AND P-SELECTINS GLYCOMIMETICS, INC. (US) 2005-06-16 WO disclosed
WO-2005051920-A2 SPECIFIC ANTAGONIST FOR BOTH E- AND P-SELECTINS GLYCOMIMETICS, INC. (US) 2005-06-09 WO disclosed
EP-1534725-A2 COMPOUNDS AND METHODS FOR INHIBITING SELECTIN-MEDIATED FUNCTION Glycomimetics, Inc. (US) 2005-06-01 EP disclosed
US-20040254145-A1 Compounds and methods for inhibiting selectin-mediated function GLYCOMIMETICS, INC. (US) 2004-12-16 US disclosed
WO-2003097658-A2 COMPOUNDS AND METHODS FOR INHIBITING SELECTIN-MEDIATED FUNCTION GLYCOMIMETICS, INC. (US) 2003-11-27 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 (8 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-20060194745-A1 Compounds and methods for inhibiting selectin-mediated function SELE, SELL, SELP TIMP3 715/4885CD40 122/4885CD40LG 81/4885
US-20160361332-A1 HETEROBIFUNCTIONAL PAN-SELECTIN INHIBITORS SELE, SELP, BSG TIMP3 1176/4885CD40 75/4885CD40LG 65/4885
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 TIMP3 1643/4885CD40 11/4885CD40LG 23/4885
US-20140178303-A1 HETEROBIFUNCTIONAL PAN-SELECTIN INHIBITORS SELE, SELP, BSG TIMP3 1176/4885CD40 75/4885CD40LG 65/4885
US-20050187171-A1 Glycomimetic antagonists for both E-and P-selectins SELE, SELP, SELPLG TIMP3 1240/4885CD40 111/4885CD40LG 116/4885
US-20040254145-A1 Compounds and methods for inhibiting selectin-mediated function SELE, SELL, SELP TIMP3 709/4885CD40 111/4885CD40LG 76/4885
US-20100279958-A1 COMPOUNDS AND METHODS FOR INHIBITING SELECTIN-MEDIATED FUNCTION SELE, SELL, SELP TIMP3 709/4885CD40 111/4885CD40LG 76/4885
US-20050164982-A1 Specific antagonist for both E- and P-selectins SELE, SELP, SELPLG TIMP3 1400/4885CD40 184/4885CD40LG 206/4885

“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.