SCHEMBL46467

SCHEMBL46467

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

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 1.00
KMT2A Q03164 3/20 1.00
ITGB2 P05107 6/20 0.74
ITGAM P11215 6/20 0.74
ALDH1A1 P00352 1/20 0.71
CYP1A2 P05177 1/20 0.71
CYP3A4 P08684 1/20 0.71
MAPT P10636 1/20 0.71
CYP2C19 P33261 1/20 0.71
PPARG P37231 4/20 0.67
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
POLB P06746 1/20 0.63
CTDSP1 Q9GZU7 1/20 0.63
TDP1 Q9NUW8 1/20 0.63
L3MBTL1 Q9Y468 1/20 0.63
BAG3 O95817 1/20 0.62

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 0.85 ITGB2 (1.00) MEN1KMT2AITGB2ITGAMALDH1A1
SCHEMBL46465 0.84 ITGB2 (1.00) MEN1KMT2AITGB2ITGAMALDH1A1
SCHEMBL684265 0.83 ITGB2 (1.00) MEN1KMT2AITGB2ITGAMALDH1A1
SCHEMBL46460 0.82 ITGB2 (0.85) MEN1KMT2AITGB2ITGAMALDH1A1
SCHEMBL46469 0.82 ITGB2 (0.74) MEN1KMT2AITGB2ITGAMALDH1A1
SCHEMBL21783145 0.81 PPARG (1.00) MEN1KMT2AITGB2ITGAMALDH1A1
SCHEMBL28374629 0.81 PPARG (0.81) MEN1KMT2AITGB2ITGAMALDH1A1
SCHEMBL21783127 0.81 PPARG (0.81) MEN1KMT2AITGB2ITGAMALDH1A1
SCHEMBL46561 0.80 ITGB2 (1.00) MEN1KMT2AITGB2ITGAMALDH1A1
SCHEMBL5167082 0.80 ITGB2 (0.77) MEN1KMT2AITGB2ITGAMALDH1A1

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 MEN1 2635/4885KMT2A 2195/4885ITGB2 2/4885
US-20120010255-A1 Compounds and Methods for Regulating Integrins ITGB8, ITGB3, ITGAM MEN1 1586/4885KMT2A 2448/4885ITGB2 5/4885
US-20150105435-A1 COMPOUNDS AND METHODS FOR REGULATING INTEGRINS ITGA2, ITGB2, ITGA2B MEN1 2635/4885KMT2A 2195/4885ITGB2 2/4885
US-20160151336-A1 COMPOUNDS AND METHODS FOR REGULATING INTEGRINS ITGA2, ITGB2, ITGA2B MEN1 2635/4885KMT2A 2195/4885ITGB2 2/4885

“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.