SCHEMBL46557

SCHEMBL46557

O=C(O)c1ccc(-c2ccc(/C=C3\SC(=O)N(c4ccccc4)C3=O)o2)cc1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.70
KMT2A Q03164 3/20 0.70
POLB P06746 2/20 0.70
NPC1 O15118 2/20 0.70
RAB9A P51151 2/20 0.70
PTPN12 Q05209 1/20 0.62
PTPN22 Q9Y2R2 1/20 0.62
PSMB8 P28062 7/20 0.61
ENPP2 Q13822 1/20 0.60
STAT3 P40763 1/20 0.59
CDK2 P24941 1/20 0.58
DNMT1 P26358 1/20 0.58
GFER P55789 1/20 0.58
CTDSP1 Q9GZU7 1/20 0.58
L3MBTL1 Q9Y468 1/20 0.58
LCK P06239 1/20 0.57
INSR P06213 1/20 0.56
IGF1R P08069 1/20 0.56
PTPN1 P18031 1/20 0.55
PTGES O14684 1/20 0.55

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
SCHEMBL46216 0.89 PTPN12 (0.77) MEN1KMT2APOLBNPC1RAB9A
SCHEMBL6742617 0.89 PTPN12 (0.77) MEN1KMT2APOLBNPC1RAB9A
SCHEMBL29665060 0.88 LCK (0.73) MEN1KMT2APOLBNPC1RAB9A
SCHEMBL21760925 0.86 MEN1 (0.63) MEN1KMT2APOLBNPC1RAB9A
SCHEMBL14426544 0.86 PSMB8 (0.77) MEN1KMT2APOLBPTPN12PTPN22
SCHEMBL14426532 0.86 PSMB8 (0.77) MEN1KMT2APOLBPTPN12PTPN22
SCHEMBL6790545 0.85 PTPN12 (0.77) MEN1KMT2APOLBNPC1RAB9A
SCHEMBL30115002 0.84 POLB (0.70) MEN1KMT2APOLBNPC1RAB9A
SCHEMBL684272 0.82 ENPP2 (0.83) MEN1KMT2APOLBPSMB8ENPP2
SCHEMBL29415356 0.81 LCK (0.71) MEN1KMT2APOLBNPC1RAB9A

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 22 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11180560-B2 Compositions and methods to treat solid tumors WAYNE STATE UNIVERSITY (US) 2021-11-23 US disclosed
EP-3682947-A1 COMPOUNDS AND METHODS FOR REGULATING INTEGRIN CD11B/CD18 GB006, Inc. (US) 2020-07-22 EP disclosed
EP-3243821-B1 PHARMACEUTICAL FORMULATIONS FOR REGULATING INTEGRIN CD11B/CD18 GB006 INC (US) 2020-02-26 EP disclosed
US-20190309073-A1 COMPOSITIONS AND METHODS TO TREAT SOLID TUMORS WAYNE STATE UNIVERSITY (US) 2019-10-10 US disclosed
EP-2838614-B1 COMPOSITIONS FOR REGULATING INTEGRINS GB006 INC (US) 2019-09-11 EP disclosed
US-10336827-B2 Compositions and methods to treat solid tumors WAYNE STATE UNIVERSITY (US) 2019-07-02 US disclosed
US-10239871-B2 Compounds and methods for regulating integrins ADHAERE PHARMACEUTICALS, INC. (US) 2019-03-26 US disclosed
EP-3243821-A1 PHARMACEUTICAL FORMULATIONS FOR REGULATING INTEGRIN CD11B/CD18 Adhaere Pharamaceuticals, Inc. (US) 2017-11-15 EP disclosed
EP-2591092-B1 COMPOUNDS AND METHODS FOR REGULATING INTEGRIN CD11B/CD18 ADHAERE PHARAMACEUTICALS INC (US) 2017-06-21 EP disclosed
US-20170121410-A1 COMPOSITIONS AND METHODS TO TREAT SOLID TUMORS WAYNE STATE UNIVERSITY (US) 2017-05-04 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 (8 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 2195/4885POLB 3373/4885
US-20170121410-A1 COMPOSITIONS AND METHODS TO TREAT SOLID TUMORS ITGB8, MMP8, FUT8 MEN1 3438/4885KMT2A 2866/4885POLB 738/4885
US-20120010255-A1 Compounds and Methods for Regulating Integrins ITGB8, ITGB3, ITGAM MEN1 1586/4885KMT2A 2448/4885POLB 4329/4885
US-20190309073-A1 COMPOSITIONS AND METHODS TO TREAT SOLID TUMORS ITGB8, MMP8, ITGA8 MEN1 3142/4885KMT2A 2746/4885POLB 737/4885
US-10336827-B2 Compositions and methods to treat solid tumors ITGB8, MMP8, ITGA8 MEN1 3142/4885KMT2A 2746/4885POLB 737/4885
US-11180560-B2 Compositions and methods to treat solid tumors ITGB8, MMP8, ITGA8 MEN1 3142/4885KMT2A 2746/4885POLB 737/4885
US-20150105435-A1 COMPOUNDS AND METHODS FOR REGULATING INTEGRINS ITGA2, ITGB2, ITGA2B MEN1 2635/4885KMT2A 2195/4885POLB 3373/4885
US-20160151336-A1 COMPOUNDS AND METHODS FOR REGULATING INTEGRINS ITGA2, ITGB2, ITGA2B MEN1 2635/4885KMT2A 2195/4885POLB 3373/4885

“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.