SCHEMBL46224

SCHEMBL46224

O=C(CN1C(=O)S/C(=C\c2ccc(-c3ccc(Cl)cc3Cl)o2)C1=O)c1ccccc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ITGB2 P05107 4/20 1.00
ITGAM P11215 4/20 1.00
SLC1A3 P43003 5/20 0.57
MAP3K5 Q99683 3/20 0.56
MEN1 O00255 4/20 0.53
KMT2A Q03164 4/20 0.53
ALDH1A1 P00352 3/20 0.53
MAPT P10636 3/20 0.53
POLB P06746 2/20 0.53
PKM P14618 2/20 0.53
CTDSP1 Q9GZU7 2/20 0.53
TDP1 Q9NUW8 2/20 0.53
L3MBTL1 Q9Y468 2/20 0.53
KDM4E B2RXH2 1/20 0.53
PTGES O14684 1/20 0.53
APEX1 P27695 1/20 0.53
PLA2G1B P04054 1/20 0.52
SAE1 Q9UBE0 1/20 0.52
UBA2 Q9UBT2 1/20 0.52
ATG4B Q9Y4P1 1/20 0.52

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
SCHEMBL46561 0.83 ITGB2 (1.00) ITGB2ITGAMSLC1A3MEN1KMT2A
SCHEMBL46575 0.82 ITGB2 (0.69) ITGB2ITGAMSLC1A3MEN1KMT2A
SCHEMBL46548 0.81 ITGB2 (0.73) ITGB2ITGAMSLC1A3MAP3K5MEN1
SCHEMBL3894018 0.80 MAP3K5 (0.79) ITGB2ITGAMMAP3K5MAPTAPEX1
SCHEMBL3894013 0.80 MAP3K5 (0.79) ITGB2ITGAMMAP3K5MAPTAPEX1
SCHEMBL13056334 0.80 MAP3K5 (0.79) ITGB2ITGAMMAP3K5MAPTAPEX1
SCHEMBL684267 0.80 ITGB2 (0.82) ITGB2ITGAMSLC1A3MEN1KMT2A
SCHEMBL46553 0.79 ITGB2 (0.66) ITGB2ITGAMMAP3K5MEN1KMT2A
SCHEMBL46549 0.77 ITGB2 (0.63) ITGB2ITGAMSLC1A3MEN1KMT2A
SCHEMBL3893918 0.77 MAP3K5 (0.79) ITGB2ITGAMMAP3K5MEN1KMT2A

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 14 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-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

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-10239871-B2 Compounds and methods for regulating integrins ITGA2, ITGB2, ITGA2B ITGB2 2/4885ITGAM 9/4885SLC1A3 4237/4885
US-20120010255-A1 Compounds and Methods for Regulating Integrins ITGB8, ITGB3, ITGAM ITGB2 5/4885ITGAM 3/4885SLC1A3 3928/4885
US-20150105435-A1 COMPOUNDS AND METHODS FOR REGULATING INTEGRINS ITGA2, ITGB2, ITGA2B ITGB2 2/4885ITGAM 9/4885SLC1A3 4237/4885
US-20160151336-A1 COMPOUNDS AND METHODS FOR REGULATING INTEGRINS ITGA2, ITGB2, ITGA2B ITGB2 2/4885ITGAM 9/4885SLC1A3 4237/4885

“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.