SCHEMBL3300801

SCHEMBL3300801

Cc1ccc(C(=O)Nc2ccc(S(=O)(=O)O)c3cc(S(=O)(=O)O)cc(S(=O)(=O)O)c23)cc1[N+](=O)[O-]

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 5/20 0.64
KMT2A Q03164 5/20 0.64
TIMP3 P35625 4/20 0.64
HPSE Q9Y251 4/20 0.64
RECQL P46063 3/20 0.64
HSD17B10 Q99714 3/20 0.64
TDP1 Q9NUW8 3/20 0.64
MAPT P10636 3/20 0.64
USP2 O75604 2/20 0.64
P2RY11 Q96G91 2/20 0.64
PKM P14618 2/20 0.64
BRCA1 P38398 2/20 0.64
SIRT2 Q8IXJ6 2/20 0.64
SIRT1 Q96EB6 2/20 0.64
CYP1A2 P05177 2/20 0.64
ENPP3 O14638 1/20 0.64
ENTPD3 O75355 1/20 0.64
NR1I2 O75469 1/20 0.64
PRKD3 O94806 1/20 0.64
TDP2 O95551 1/20 0.64

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
SCHEMBL26983156 0.99 MEN1 (0.62) MEN1KMT2ATIMP3HPSERECQL
SCHEMBL11465116 0.97 MEN1 (0.68) MEN1KMT2ATIMP3HPSERECQL
SCHEMBL11413353 0.91 TIMP3 (0.59) MEN1KMT2ATIMP3HPSERECQL
SCHEMBL11426635 0.90 TIMP3 (0.57) MEN1KMT2ATIMP3HPSERECQL
SCHEMBL17903246 0.88 TIMP3 (0.58) MEN1KMT2ATIMP3HPSERECQL
SCHEMBL11593413 0.87 TIMP3 (0.66) MEN1KMT2ATIMP3HPSERECQL
SCHEMBL30205446 0.87 HPGD (0.64) MEN1KMT2ATIMP3HPSERECQL
SCHEMBL11407455 0.87 TIMP3 (0.67) MEN1KMT2ATIMP3HPSERECQL
SCHEMBL11512361 0.86 MEN1 (0.55) MEN1KMT2ATIMP3HPSERECQL
SCHEMBL11407249 0.85 P2RY11 (0.74) MEN1KMT2AHPSERECQLHSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-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
WO-2005054264-A2 GLYCOMIMETIC ANTAGONISTS FOR BOTH E- AND P-SELECTINS GLYCOMIMETICS, INC. (US) 2005-06-16 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
EP-0008154-A1 Ureylene phenylene anionic naphthalene-sulfonic acids, their use as complement system inhibitors in a body fluid and process for their preparation AMERICAN CYANAMID COMPANY (US) 1980-02-20 EP disclosed
US-4180587-A Ureylene phenylene anionic naphthalenesulfonic acids as complement inhibitors AMERICAN CYANAMID COMPANY (US) 1979-12-25 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 (4 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 MEN1 3282/4885KMT2A 2401/4885TIMP3 715/4885
US-20050187171-A1 Glycomimetic antagonists for both E-and P-selectins SELE, SELP, SELPLG MEN1 3851/4885KMT2A 2775/4885TIMP3 1240/4885
US-20040254145-A1 Compounds and methods for inhibiting selectin-mediated function SELE, SELL, SELP MEN1 3315/4885KMT2A 2423/4885TIMP3 709/4885
US-20100279958-A1 COMPOUNDS AND METHODS FOR INHIBITING SELECTIN-MEDIATED FUNCTION SELE, SELL, SELP MEN1 3315/4885KMT2A 2423/4885TIMP3 709/4885

“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.