SCHEMBL14557795

SCHEMBL14557795

Nc1ccc(-c2ccc(C(=O)Nc3ccc(S(=O)(=O)O)c4cc(S(=O)(=O)O)cc(S(=O)(=O)O)c34)cc2)cc1

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TIMP3 P35625 5/20 0.71
HSD17B10 Q99714 5/20 0.62
RECQL P46063 4/20 0.62
KMT2A Q03164 4/20 0.62
TDP1 Q9NUW8 4/20 0.62
ALDH1A1 P00352 4/20 0.62
MEN1 O00255 2/20 0.62
USP2 O75604 2/20 0.62
HPSE Q9Y251 4/20 0.56
SIRT2 Q8IXJ6 3/20 0.56
SIRT1 Q96EB6 3/20 0.56
MAPT P10636 3/20 0.56
PKM P14618 3/20 0.56
P2RX1 P51575 3/20 0.56
P2RX3 P56373 3/20 0.56
CYP1A2 P05177 2/20 0.56
P2RY11 Q96G91 2/20 0.56
PRMT1 Q99873 2/20 0.56
ENPP3 O14638 1/20 0.56
ENTPD3 O75355 1/20 0.56

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
SCHEMBL18211298 0.91 TIMP3 (0.64) TIMP3HSD17B10RECQLKMT2ATDP1
SCHEMBL6561310 0.87 TIMP3 (0.62) TIMP3HSD17B10RECQLKMT2ATDP1
SCHEMBL11593603 0.87 TIMP3 (0.68) TIMP3HSD17B10RECQLKMT2ATDP1
SCHEMBL17067860 0.86 TIMP3 (0.64) TIMP3HSD17B10RECQLKMT2ATDP1
SCHEMBL18136599 0.86 TIMP3 (0.93) TIMP3HSD17B10RECQLKMT2ATDP1
SCHEMBL24621483 0.85 TIMP3 (0.72) TIMP3HSD17B10RECQLKMT2ATDP1
SCHEMBL3297268 0.85 TIMP3 (0.66) TIMP3HSD17B10RECQLKMT2ATDP1
SCHEMBL375680 0.84 TIMP3 (0.75) TIMP3HSD17B10RECQLKMT2ATDP1
SCHEMBL3300014 0.84 HSD17B10 (0.74) TIMP3HSD17B10RECQLKMT2ATDP1
SCHEMBL18211299 0.84 TIMP3 (0.54) TIMP3HSD17B10RECQLKMT2ATDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2264043-B1 Heterobifunctional pan-selectin inhibitors GLYCOMIMETICS INC (US) 2017-11-08 EP disclosed
US-20160361332-A1 HETEROBIFUNCTIONAL PAN-SELECTIN INHIBITORS GLYCOMIMETICS INC (US) 2016-12-15 US disclosed
US-9486497-B2 Treatment of immunocompromised conditions THE UNIVERSITY OF QUEENSLAND (AU) 2016-11-08 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-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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (3 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-20160361332-A1 HETEROBIFUNCTIONAL PAN-SELECTIN INHIBITORS SELE, SELP, BSG TIMP3 1176/4885HSD17B10 3651/4885RECQL 4815/4885
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 1643/4885HSD17B10 4424/4885RECQL 4379/4885
US-20140178303-A1 HETEROBIFUNCTIONAL PAN-SELECTIN INHIBITORS SELE, SELP, BSG TIMP3 1176/4885HSD17B10 3651/4885RECQL 4815/4885

“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.