SCHEMBL563962

SCHEMBL563962

CN(C)C(=[O+]n1nnc2cccnc21)N(C)C.CN(C)C(=[O+]n1nnc2cccnc21)N(C)C.O=P([O-])([O-])F

nearest known ligand 0.34

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
FAAH O00519 3/20 0.34
MGLL Q99685 3/20 0.34
TUBB4A P04350 1/20 0.32
TUBB P07437 1/20 0.32
TUBA3C P0DPH7 1/20 0.32
TUBA1B P68363 1/20 0.32
TUBA4A P68366 1/20 0.32
TUBB4B P68371 1/20 0.32
TUBB3 Q13509 1/20 0.32
TUBB2A Q13885 1/20 0.32
TUBB8 Q3ZCM7 1/20 0.32
TUBA3E Q6PEY2 1/20 0.32
TUBA1A Q71U36 1/20 0.32
TUBA1C Q9BQE3 1/20 0.32
TUBB6 Q9BUF5 1/20 0.32
TUBB2B Q9BVA1 1/20 0.32
TUBB1 Q9H4B7 1/20 0.32
PDE4B Q07343 1/20 0.32
PDE4D Q08499 1/20 0.32

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
SCHEMBL472851 0.95 FAAH (0.33) FAAHMGLLTUBB4ATUBBTUBA3C
Phosphoric Acid SCHEMBL635361 0.95 FAAH (0.35) FAAHMGLLTUBB4ATUBBTUBA3C
Phosphoric Acid SCHEMBL635362 0.94 FAAH (0.34) FAAHMGLLTUBB4ATUBBTUBA3C
SCHEMBL563963 0.91 FAAH (0.34) FAAHMGLLTUBB4ATUBBTUBA3C
SCHEMBL29442809 0.90 TUBB4A (0.37) FAAHMGLLTUBB4ATUBBTUBA3C
SCHEMBL11981 0.90 TUBB4A (0.37) FAAHMGLLTUBB4ATUBBTUBA3C
SCHEMBL63612 0.87 TUBB4A (0.34) FAAHMGLLTUBB4ATUBBTUBA3C
SCHEMBL2232947 0.87 TUBB4A (0.34) FAAHMGLLTUBB4ATUBBTUBA3C
SCHEMBL29442870 0.87 TUBB4A (0.34) FAAHMGLLTUBB4ATUBBTUBA3C
SCHEMBL153586 0.87 TUBB4A (0.34) FAAHMGLLTUBB4ATUBBTUBA3C

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-20210145824-A1 MODULATORS OF CELLULAR ADHESION NOVARTIS PHARMACEUTICALS CORPORATION (US) 2021-05-20 US disclosed
US-20190134022-A1 MODULATORS OF CELLULAR ADHESION SARCODE BIOSCIENCE INC. (US) 2019-05-09 US disclosed
US-10124000-B2 Modulators of cellular adhesion SARCODE BIOSCIENCE INC. (US) 2018-11-13 US disclosed
US-20160074381-A1 MODULATORS OF CELLULAR ADHESION SARCODE BIOSCIENCE INC. (US) 2016-03-17 US disclosed
US-9248126-B2 Modulators of cellular adhesion SARCODE BIOSCIENCE INC. (US) 2016-02-02 US disclosed
US-9216174-B2 Modulators of cellular adhesion SARCODE BIOSCIENCE INC. (US) 2015-12-22 US disclosed
US-20140066476-A1 MODULATORS OF CELLULAR ADHESION SARCODE BIOSCIENCE INC. (US) 2014-03-06 US disclosed
US-20140051675-A1 MODULATORS OF CELLULAR ADHESION SARCODE BIOSCIENCE INC. (US) 2014-02-20 US disclosed
EP-1682537-B1 MODULATORS OF CELLULAR ADHESION SARCODE BIOSCIENCE INC (US) 2012-03-28 EP disclosed
US-20120035154-A1 Modulators of Cellular Adhesion SARcode Bioscience, Inc. (US) 2012-02-09 US disclosed
US-20110124669-A1 Modulators of Cellular Adhesion SARCODE CORPORATION (US) 2011-05-26 US disclosed
US-20110124625-A1 Modulators of Cellular Adhesion SARCODE CORPORATION (US) 2011-05-26 US disclosed
US-7928122-B2 Modulators of cellular adhesion SARCODE CORPORATION (US) 2011-04-19 US disclosed
US-7790743-B2 Modulators of cellular adhesion SARCODE CORPORATION (US) 2010-09-07 US disclosed
US-7745460-B2 Modulators of cellular adhesion SARCODE CORPORATION (US) 2010-06-29 US disclosed
US-20100093693-A1 MODULATORS OF CELLULAR ADHESION BAUSCH + LOMB IRELAND LIMITED (IE) 2010-04-15 US disclosed
US-20080182839-A1 MODULATORS OF CELLULAR ADHESION SUNESIS PHARMACEUTICALS, INC. (US) 2008-07-31 US disclosed
US-20080176896-A1 Modulators of cellular adhesion BAUSCH + LOMB IRELAND LIMITED (IE) 2008-07-24 US disclosed
US-7314938-B2 Immune and/or inflammatory disorders; autoimmune disorders; disorders mediated by the CD11/CD18 family of cellular adhesion molecules (e.g., LFA-1); antagonize CD11/CD18 receptors associated with leukocytes. SUNESIS PHARMACEUTICALS, INC. (US) 2008-01-01 US disclosed
US-20050267098-A1 Modulators of cellular adhesion JPMORGAN CHASE BANK, N.A., AS SUCCESSOR AGENT 2005-12-01 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 (13 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-20210145824-A1 MODULATORS OF CELLULAR ADHESION ITGB1, VCAM1, ITGB8 FAAH 3703/4885MGLL 3634/4885TUBB4A 1045/4885
US-20140066476-A1 MODULATORS OF CELLULAR ADHESION ITGB1, VCAM1, ITGB8 FAAH 3703/4885MGLL 3634/4885TUBB4A 1045/4885
US-20080176896-A1 Modulators of cellular adhesion ITGB1, VCAM1, ITGB8 FAAH 3703/4885MGLL 3634/4885TUBB4A 1045/4885
US-20140051675-A1 MODULATORS OF CELLULAR ADHESION ITGB1, VCAM1, ITGB8 FAAH 3703/4885MGLL 3634/4885TUBB4A 1045/4885
US-20100093693-A1 MODULATORS OF CELLULAR ADHESION ITGB1, VCAM1, ITGB8 FAAH 3712/4885MGLL 3632/4885TUBB4A 1075/4885
US-10124000-B2 Modulators of cellular adhesion ITGB1, VCAM1, ITGB8 FAAH 3703/4885MGLL 3634/4885TUBB4A 1045/4885
US-20050267098-A1 Modulators of cellular adhesion ITGB1, VCAM1, ITGB8 FAAH 3703/4885MGLL 3634/4885TUBB4A 1045/4885
US-20110124625-A1 Modulators of Cellular Adhesion ITGB1, VCAM1, ITGB8 FAAH 3703/4885MGLL 3634/4885TUBB4A 1045/4885
US-20160074381-A1 MODULATORS OF CELLULAR ADHESION ITGB1, VCAM1, ITGB8 FAAH 3703/4885MGLL 3634/4885TUBB4A 1045/4885
US-20110124669-A1 Modulators of Cellular Adhesion ITGB1, VCAM1, ITGB8 FAAH 3703/4885MGLL 3634/4885TUBB4A 1045/4885
US-20120035154-A1 Modulators of Cellular Adhesion ITGB1, VCAM1, ITGB8 FAAH 3703/4885MGLL 3634/4885TUBB4A 1045/4885
US-20190134022-A1 MODULATORS OF CELLULAR ADHESION ITGB1, VCAM1, ITGB8 FAAH 3703/4885MGLL 3634/4885TUBB4A 1045/4885
US-20080182839-A1 MODULATORS OF CELLULAR ADHESION ITGB1, VCAM1, ITGB8 FAAH 3720/4885MGLL 3656/4885TUBB4A 1059/4885

“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.