SCHEMBL46551

SCHEMBL46551

COC(=O)C(C)N1C(=O)S/C(=C\c2ccc(-c3ccc(Cl)cc3Cl)o2)C1=O

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC1A3 P43003 3/20 0.73
MEN1 O00255 5/20 0.69
KMT2A Q03164 5/20 0.69
RAB9A P51151 3/20 0.69
POLB P06746 2/20 0.69
NPC1 O15118 2/20 0.69
APOBEC3A P31941 1/20 0.69
APOBEC3G Q9HC16 1/20 0.69
ITGB2 P05107 3/20 0.64
ITGAM P11215 3/20 0.64
ESR1 P03372 1/20 0.56
ESR2 Q92731 1/20 0.56
DNMT1 P26358 2/20 0.55
GRK2 P25098 1/20 0.55
CTDSP1 Q9GZU7 1/20 0.55
TDP1 Q9NUW8 1/20 0.53
L3MBTL1 Q9Y468 1/20 0.53
GSK3A P49840 1/20 0.52
GSK3B P49841 1/20 0.52
MAP3K5 Q99683 2/20 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
SCHEMBL6389826 0.81 MEN1 (0.70) SLC1A3MEN1KMT2ARAB9APOLB
SCHEMBL6389833 0.81 MEN1 (0.70) SLC1A3MEN1KMT2ARAB9APOLB
SCHEMBL6395526 0.80 KMT2A (0.88) SLC1A3MEN1KMT2ARAB9APOLB
SCHEMBL5145169 0.80 KMT2A (0.88) SLC1A3MEN1KMT2ARAB9APOLB
SCHEMBL46561 0.78 ITGB2 (1.00) SLC1A3MEN1KMT2APOLBITGB2
SCHEMBL46548 0.76 ITGB2 (0.73) SLC1A3MEN1KMT2ARAB9APOLB
SCHEMBL684267 0.75 ITGB2 (0.82) SLC1A3MEN1KMT2APOLBITGB2
SCHEMBL5167537 0.75 MEN1 (0.62) SLC1A3MEN1KMT2ARAB9APOLB
SCHEMBL5167542 0.75 MEN1 (0.62) SLC1A3MEN1KMT2ARAB9APOLB
SCHEMBL15678589 0.75 MEN1 (0.66) SLC1A3MEN1KMT2ARAB9APOLB

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 SLC1A3 4237/4885MEN1 2635/4885KMT2A 2195/4885
US-20120010255-A1 Compounds and Methods for Regulating Integrins ITGB8, ITGB3, ITGAM SLC1A3 3928/4885MEN1 1586/4885KMT2A 2448/4885
US-20150105435-A1 COMPOUNDS AND METHODS FOR REGULATING INTEGRINS ITGA2, ITGB2, ITGA2B SLC1A3 4237/4885MEN1 2635/4885KMT2A 2195/4885
US-20160151336-A1 COMPOUNDS AND METHODS FOR REGULATING INTEGRINS ITGA2, ITGB2, ITGA2B SLC1A3 4237/4885MEN1 2635/4885KMT2A 2195/4885

“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.