SCHEMBL684265

SCHEMBL684265

CCOC(=O)CN1C(=O)S/C(=C\c2ccc(-c3ccc(Br)cc3)o2)C1=O

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ITGB2 P05107 6/20 1.00
ITGAM P11215 6/20 1.00
MEN1 O00255 3/20 0.71
KMT2A Q03164 3/20 0.71
POLB P06746 1/20 0.70
CTDSP1 Q9GZU7 1/20 0.70
TDP1 Q9NUW8 1/20 0.70
L3MBTL1 Q9Y468 1/20 0.70
SLC1A3 P43003 5/20 0.66
CASP3 P42574 1/20 0.65
SENP8 Q96LD8 1/20 0.65
SENP7 Q9BQF6 1/20 0.65
SENP6 Q9GZR1 1/20 0.65
ALDH1A1 P00352 1/20 0.62
CYP1A2 P05177 1/20 0.62
CYP3A4 P08684 1/20 0.62
MAPT P10636 1/20 0.62
CYP2C19 P33261 1/20 0.62
PSMB8 P28062 1/20 0.61
PTPN22 Q9Y2R2 1/20 0.58

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
SCHEMBL46558 0.90 ITGB2 (1.00) ITGB2ITGAMMEN1KMT2APOLB
SCHEMBL5167082 0.87 ITGB2 (0.77) ITGB2ITGAMMEN1KMT2APOLB
SCHEMBL5167090 0.87 ITGB2 (0.77) ITGB2ITGAMMEN1KMT2APOLB
SCHEMBL46467 0.83 MEN1 (1.00) ITGB2ITGAMMEN1KMT2APOLB
SCHEMBL21783171 0.83 PPARG (0.82) ITGB2ITGAMMEN1KMT2APOLB
SCHEMBL683059 0.83 ITGB2 (1.00) ITGB2ITGAMMEN1KMT2APOLB
SCHEMBL6392207 0.83 MEN1 (0.87) ITGB2ITGAMMEN1KMT2APOLB
SCHEMBL5147227 0.83 MEN1 (1.00) ITGB2ITGAMMEN1KMT2APOLB
SCHEMBL6392210 0.83 MEN1 (0.87) ITGB2ITGAMMEN1KMT2APOLB
SCHEMBL5147232 0.83 MEN1 (1.00) ITGB2ITGAMMEN1KMT2APOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3243821-B1 PHARMACEUTICAL FORMULATIONS FOR REGULATING INTEGRIN CD11B/CD18 GB006 INC (US) 2020-02-26 EP disclosed
EP-2838614-B1 COMPOSITIONS FOR REGULATING INTEGRINS GB006 INC (US) 2019-09-11 EP 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

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-20120010255-A1 Compounds and Methods for Regulating Integrins ITGB8, ITGB3, ITGAM ITGB2 5/4885ITGAM 3/4885MEN1 1586/4885
US-20150105435-A1 COMPOUNDS AND METHODS FOR REGULATING INTEGRINS ITGA2, ITGB2, ITGA2B ITGB2 2/4885ITGAM 9/4885MEN1 2635/4885
US-20160151336-A1 COMPOUNDS AND METHODS FOR REGULATING INTEGRINS ITGA2, ITGB2, ITGA2B ITGB2 2/4885ITGAM 9/4885MEN1 2635/4885

“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.