SCHEMBL46577

SCHEMBL46577

CCOC(=O)CN1C(=O)S/C(=C\c2ccc(-c3ccc(C(=O)O)cc3C)o2)C1=O

nearest known ligand 0.88

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC1A3 P43003 6/20 0.88
ITGB2 P05107 5/20 0.81
ITGAM P11215 5/20 0.81
POLB P06746 6/20 0.72
L3MBTL1 Q9Y468 4/20 0.72
NPC1 O15118 2/20 0.72
RAB9A P51151 2/20 0.72
CASP3 P42574 1/20 0.70
SENP8 Q96LD8 1/20 0.70
SENP7 Q9BQF6 1/20 0.70
SENP6 Q9GZR1 1/20 0.70
KMT2A Q03164 7/20 0.66
MEN1 O00255 6/20 0.66
APOBEC3A P31941 1/20 0.66
APOBEC3G Q9HC16 1/20 0.66
TDP1 Q9NUW8 5/20 0.65
CTDSP1 Q9GZU7 3/20 0.65
BLM P54132 2/20 0.64
CACNA1B Q00975 1/20 0.64
APBA1 Q02410 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
SCHEMBL5147456 1.00 SLC1A3 (0.88) SLC1A3ITGB2ITGAMPOLBL3MBTL1
SCHEMBL5145237 0.94 SLC1A3 (1.00) SLC1A3ITGB2ITGAMPOLBL3MBTL1
SCHEMBL5145242 0.94 SLC1A3 (1.00) SLC1A3ITGB2ITGAMPOLBL3MBTL1
SCHEMBL6397417 0.92 SLC1A3 (0.79) SLC1A3ITGB2ITGAMPOLBL3MBTL1
SCHEMBL6397420 0.92 SLC1A3 (0.79) SLC1A3ITGB2ITGAMPOLBL3MBTL1
SCHEMBL683064 0.90 SLC1A3 (1.00) SLC1A3ITGB2ITGAMPOLBL3MBTL1
SCHEMBL21337634 0.89 SLC1A3 (0.82) SLC1A3ITGB2ITGAMPOLBL3MBTL1
SCHEMBL5166114 0.85 ITGB2 (0.68) SLC1A3ITGB2ITGAMPOLBL3MBTL1
SCHEMBL5166105 0.85 ITGB2 (0.68) SLC1A3ITGB2ITGAMPOLBL3MBTL1
SCHEMBL46561 0.83 ITGB2 (1.00) SLC1A3ITGB2ITGAMPOLBL3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10239871-B2 Compounds and methods for regulating integrins ADHAERE PHARMACEUTICALS, INC. (US) 2019-03-26 US disclosed
US-20160151336-A1 COMPOUNDS AND METHODS FOR REGULATING INTEGRINS ATEGRIN, INC. 2016-06-02 US disclosed
US-20160151336-A1 COMPOUNDS AND METHODS FOR REGULATING INTEGRINS ATEGRIN, INC. 2016-06-02 US disclosed
US-9328105-B2 Compounds and methods for regulating integrins ADHAERE PHARMACEUTICALS, INC. (US) 2016-05-03 US disclosed
US-9328105-B2 Compounds and methods for regulating integrins ADHAERE PHARMACEUTICALS, INC. (US) 2016-05-03 US disclosed
US-9023876-B2 Compounds and methods for regulating integrins ADHAERE PHARMACEUTICALS, INC. (US) 2015-05-05 US disclosed
US-9023876-B2 Compounds and methods for regulating integrins ADHAERE PHARMACEUTICALS, INC. (US) 2015-05-05 US disclosed
US-20150105435-A1 COMPOUNDS AND METHODS FOR REGULATING INTEGRINS ATEGRIN, INC. 2015-04-16 US disclosed
US-20150105435-A1 COMPOUNDS AND METHODS FOR REGULATING INTEGRINS ATEGRIN, INC. 2015-04-16 US disclosed
US-20120010255-A1 Compounds and Methods for Regulating Integrins ATEGRIN, INC. 2012-01-12 US disclosed
US-20120010255-A1 Compounds and Methods for Regulating Integrins ATEGRIN, INC. 2012-01-12 US disclosed
WO-2012005800-A1 COMPOUNDS AND METHODS FOR REGULATING INTEGRIN CD11B/CD18 ADHAERE PHARAMACEUTICALS, INC. (US) 2012-01-12 WO disclosed
EP-1718308-A4 METHODS OF MODULATING NEUROTROPHIN-MEDIATED ACTIVITY PAINCEPTOR PHARMA CORP (CA) 2007-07-18 EP disclosed
EP-1718308-A2 METHODS OF MODULATING NEUROTROPHIN-MEDIATED ACTIVITY PainCeptor Pharma Corp. (CA) 2006-11-08 EP disclosed
US-20050282840-A1 Methods of modulating neurotrophin-mediated activity PAINCEPTOR PHARMA CORPORATION (CA) 2005-12-22 US disclosed
WO-2005076695-A2 METHODS OF MODULATING NEUROTROPHIN-MEDIATED ACTIVITY PAINCEPTOR PHARMA CORPORATION (CA) 2005-08-25 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 (5 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-10239871-B2 Compounds and methods for regulating integrins ITGA2, ITGB2, ITGA2B SLC1A3 4237/4885ITGB2 2/4885ITGAM 9/4885
US-20120010255-A1 Compounds and Methods for Regulating Integrins ITGB8, ITGB3, ITGAM SLC1A3 3928/4885ITGB2 5/4885ITGAM 3/4885
US-20150105435-A1 COMPOUNDS AND METHODS FOR REGULATING INTEGRINS ITGA2, ITGB2, ITGA2B SLC1A3 4237/4885ITGB2 2/4885ITGAM 9/4885
US-20050282840-A1 Methods of modulating neurotrophin-mediated activity NGF, BDNF, NTRK2 SLC1A3 1224/4885ITGB2 1496/4885ITGAM 656/4885
US-20160151336-A1 COMPOUNDS AND METHODS FOR REGULATING INTEGRINS ITGA2, ITGB2, ITGA2B SLC1A3 4237/4885ITGB2 2/4885ITGAM 9/4885

“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.