SCHEMBL684267

SCHEMBL684267

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

nearest known ligand 0.82

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ITGB2 P05107 7/20 0.82
ITGAM P11215 7/20 0.82
SLC1A3 P43003 6/20 0.61
MEN1 O00255 3/20 0.56
KMT2A Q03164 3/20 0.56
POLB P06746 1/20 0.56
CTDSP1 Q9GZU7 1/20 0.56
TDP1 Q9NUW8 1/20 0.56
L3MBTL1 Q9Y468 1/20 0.56
CASP3 P42574 1/20 0.53
SENP8 Q96LD8 1/20 0.53
SENP7 Q9BQF6 1/20 0.53
SENP6 Q9GZR1 1/20 0.53
GSK3A P49840 1/20 0.50
GSK3B P49841 1/20 0.50

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 0.90 ITGB2 (1.00) ITGB2ITGAMSLC1A3MEN1KMT2A
SCHEMBL46548 0.84 ITGB2 (0.73) ITGB2ITGAMSLC1A3MEN1KMT2A
SCHEMBL12340057 0.81 ITGB2 (0.84) ITGB2ITGAMSLC1A3MEN1KMT2A
SCHEMBL684060 0.81 ITGB2 (0.80) ITGB2ITGAMSLC1A3MEN1KMT2A
SCHEMBL46224 0.80 ITGB2 (1.00) ITGB2ITGAMSLC1A3MEN1KMT2A
SCHEMBL5142920 0.79 ITGB2 (0.79) ITGB2ITGAMSLC1A3MEN1KMT2A
SCHEMBL5142921 0.79 ITGB2 (0.79) ITGB2ITGAMSLC1A3MEN1KMT2A
SCHEMBL16639742 0.78 ITGB2 (0.53) ITGB2ITGAMSLC1A3MEN1KMT2A
SCHEMBL683064 0.76 SLC1A3 (1.00) ITGB2ITGAMSLC1A3MEN1KMT2A
SCHEMBL46575 0.75 ITGB2 (0.69) ITGB2ITGAMSLC1A3MEN1KMT2A

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9328105-B2 Compounds and methods for regulating integrins ADHAERE PHARMACEUTICALS, INC. (US) 2016-05-03 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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 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-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

“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.