SCHEMBL46549

SCHEMBL46549

Cc1ccc(C(=O)CN2C(=O)S/C(=C\c3ccc(-c4ccc(Cl)cc4)o3)C2=O)cc1

nearest known ligand 0.63

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ITGB2 P05107 7/20 0.63
ITGAM P11215 7/20 0.63
ENPP2 Q13822 1/20 0.56
MEN1 O00255 3/20 0.56
KMT2A Q03164 3/20 0.56
TDP1 Q9NUW8 3/20 0.56
POLB P06746 2/20 0.56
L3MBTL1 Q9Y468 2/20 0.56
PKM P14618 2/20 0.56
SMN1; SMN2 Q16637 1/20 0.56
HIF1AN Q9NWT6 1/20 0.55
CTDSP1 Q9GZU7 1/20 0.55
LCK P06239 1/20 0.54
SLC1A3 P43003 2/20 0.53
STAT3 P40763 1/20 0.52
PTPN22 Q9Y2R2 2/20 0.52
MCL1 Q07820 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
SCHEMBL16639750 0.85 ENPP2 (0.63) ITGB2ITGAMENPP2MEN1KMT2A
SCHEMBL17862123 0.85 PTPN22 (0.70) ITGB2ITGAMENPP2MEN1KMT2A
SCHEMBL16687571 0.82 ENPP2 (0.82) ITGB2ITGAMENPP2MEN1KMT2A
SCHEMBL684569 0.80 ENPP2 (0.66) ITGB2ITGAMENPP2MEN1KMT2A
SCHEMBL17715075 0.79 ENPP2 (0.69) ITGB2ITGAMENPP2MEN1KMT2A
SCHEMBL14426571 0.78 KMT2A (0.71) ITGB2ITGAMMEN1KMT2ATDP1
SCHEMBL12177177 0.78 ENPP2 (0.64) ITGB2ITGAMENPP2MEN1KMT2A
SCHEMBL46224 0.77 ITGB2 (1.00) ITGB2ITGAMMEN1KMT2ATDP1
SCHEMBL12177595 0.77 KMT2A (0.64) ITGB2ITGAMENPP2MEN1KMT2A
SCHEMBL12177201 0.77 KMT2A (0.64) ITGB2ITGAMENPP2MEN1KMT2A

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
EP-3243821-B1 PHARMACEUTICAL FORMULATIONS FOR REGULATING INTEGRIN CD11B/CD18 GB006 INC (US) 2020-02-26 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 9/4885ENPP2 107/4885
US-20120010255-A1 Compounds and Methods for Regulating Integrins ITGB8, ITGB3, ITGAM ITGB2 5/4885ITGAM 3/4885ENPP2 1581/4885
US-20150105435-A1 COMPOUNDS AND METHODS FOR REGULATING INTEGRINS ITGA2, ITGB2, ITGA2B ITGB2 2/4885ITGAM 9/4885ENPP2 107/4885
US-20160151336-A1 COMPOUNDS AND METHODS FOR REGULATING INTEGRINS ITGA2, ITGB2, ITGA2B ITGB2 2/4885ITGAM 9/4885ENPP2 107/4885

“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.