SCHEMBL656070

SCHEMBL656070

CCN[C@@H](Cc1ccccc1)C(=O)OCC

nearest known ligand 0.57

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MMP8 P22894 1/20 0.57
POLB P06746 2/20 0.52
ELANE P08246 1/20 0.52
HPRT1 P00492 1/20 0.52
ATM Q13315 2/20 0.51
TP53 P04637 2/20 0.51
SIGMAR1 Q99720 1/20 0.50
TACR1 P25103 1/20 0.50
EGFR P00533 1/20 0.49
TSHR P16473 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
EPHX2 P34913 1/20 0.48
PPARG P37231 1/20 0.48
GAA P10253 1/20 0.48
RAB9A P51151 1/20 0.48
ALDH1A1 P00352 1/20 0.48
BACE1 P56817 1/20 0.47
NPY1R P25929 1/20 0.47
NPY2R P49146 1/20 0.47

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
SCHEMBL24925125 1.00 MMP8 (0.57) MMP8POLBELANEHPRT1ATM
SCHEMBL13915549 0.89 MMP8 (0.56) MMP8POLBELANEHPRT1ATM
SCHEMBL1931193 0.89 MMP8 (0.56) MMP8POLBELANEHPRT1ATM
SCHEMBL15242283 0.89 MMP8 (0.56) MMP8POLBELANEHPRT1ATM
SCHEMBL20394525 0.89 TACR1 (0.56) POLBATMSIGMAR1TACR1ALDH1A1
SCHEMBL20394526 0.89 TACR1 (0.56) POLBATMSIGMAR1TACR1ALDH1A1
SCHEMBL7729217 0.89 POLB (0.65) POLBATMTSHRL3MBTL1GAA
SCHEMBL18435148 0.89 POLB (0.65) POLBATMTSHRL3MBTL1GAA
SCHEMBL19223394 0.88 POLB (0.57) MMP8POLBELANEHPRT1TP53
SCHEMBL1271157 0.87 BACE1 (0.53) TSHRBACE1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8158621-B2 Methods of treating or preventing autoimmune diseases with 2,4-pyrimidinediamine compounds RIGEL PHARMACEUTICALS, INC. (US) 2012-04-17 US disclosed
US-8148525-B2 2,4-pyrimidinediamine compounds and their uses RIGEL PHARMACEUTICALS, INC. (US) 2012-04-03 US disclosed
US-20120045454-A1 2,4-PYRIMIDINEDIAMINE COMPOUNDS AND THEIR USES RIGEL PHARMACEUTICALS, INC. 2012-02-23 US disclosed
US-20110144330-A1 2,4-Pyrimidinediamine Compounds and their Uses RIGEL PHARMACEUTICALS, INC. (US) 2011-06-16 US disclosed
US-7906644-B2 2,4-pyrimidinediamine compounds and their uses RIGEL PHARMACEUTICALS, INC. (US) 2011-03-15 US disclosed
EP-2281563-A1 2,4-Pyrimidinediamine compounds and their uses Rigel Pharmaceuticals, Inc. (US) 2011-02-09 EP disclosed
US-20090069406-A1 Analogs of tetramic acid NATIONAL INSTITUTES OF HEALTH - DIRECTOR DEITR 2009-03-12 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 (3 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-20120045454-A1 2,4-PYRIMIDINEDIAMINE COMPOUNDS AND THEIR USES FCER2, FCGR1A, FCGR2A MMP8 1128/4885POLB 3063/4885ELANE 1928/4885
US-20110144330-A1 2,4-Pyrimidinediamine Compounds and their Uses FCER2, FCGR1A, FCGR2A MMP8 1128/4885POLB 3063/4885ELANE 1928/4885
US-20090069406-A1 Analogs of tetramic acid TFRC, SLC7A1, FTH1 MMP8 2086/4885POLB 1718/4885ELANE 2542/4885

“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.