SCHEMBL1935858

SCHEMBL1935858

CCOC(=O)CCN(CC(=O)OCC)C(=O)OCC

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.43
CA1 P00915 1/20 0.43
CA2 P00918 1/20 0.43
CA9 Q16790 1/20 0.43
CYP1A2 P05177 1/20 0.42
GAA P10253 2/20 0.41
MGAM O43451 1/20 0.41
SI P14410 1/20 0.41
MGAM2 Q2M2H8 1/20 0.41
SMN1; SMN2 Q16637 2/20 0.39
ALDH1A1 P00352 4/20 0.39
TRPA1 O75762 1/20 0.39
LMNA P02545 1/20 0.38
POLB P06746 1/20 0.38
TSHR P16473 1/20 0.38
ALOX5 P09917 1/20 0.37
CYP4F2 P78329 2/20 0.36
CYP4A11 Q02928 2/20 0.36
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35

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
SCHEMBL10654873 0.90 CYP1A2 (0.47) CA12CA1CA2CA9CYP1A2
SCHEMBL15312506 0.84 SMN1; SMN2 (0.38) CA12CA1CA2CA9CYP1A2
SCHEMBL3423094 0.81 ALOX5 (0.51) SMN1; SMN2ALDH1A1LMNAPOLBALOX5
SCHEMBL1506449 0.79 CYP1A2 (0.38) CA12CA1CA2CA9CYP1A2
SCHEMBL18095949 0.79 CYP1A2 (0.46) CA12CA1CA2CA9CYP1A2
SCHEMBL10653733 0.78 GAA (0.48) CYP1A2GAAMGAMSIMGAM2
SCHEMBL9831959 0.78 CA12 (0.52) CA12CA1CA2CA9CYP1A2
SCHEMBL838165 0.78 DNM1 (0.49) CYP1A2ALDH1A1LMNATSHR
SCHEMBL28497495 0.77 MEN1 (0.39) CA12CA1CA2CA9CYP1A2
SCHEMBL941055 0.76 CA12 (0.37) CA12CA1CA2CA9CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8080556-B2 2-amino pyrimidine compounds as potent HSP-90 inhibitors PFIZER INC. (US) 2011-12-20 US disclosed
US-8080556-B2 2-amino pyrimidine compounds as potent HSP-90 inhibitors PFIZER INC. (US) 2011-12-20 US disclosed
US-8080556-B2 2-amino pyrimidine compounds as potent HSP-90 inhibitors PFIZER INC. (US) 2011-12-20 US disclosed
EP-2331544-A1 2-AMINO PYRIMIDINE COMPOUNDS AS POTENT HSP-90 INHIBITORS Pfizer Inc. (US) 2011-06-15 EP disclosed
US-20100093696-A1 2-AMINO PYRIMIDINE COMPOUNDS PFIZER INC. 2010-04-15 US disclosed
US-20100093696-A1 2-AMINO PYRIMIDINE COMPOUNDS PFIZER INC. 2010-04-15 US disclosed
US-20100093696-A1 2-AMINO PYRIMIDINE COMPOUNDS PFIZER INC. 2010-04-15 US disclosed
WO-2010018481-A1 2-AMINO PYRIMIDINE COMPOUNDS AS POTENT HSP-90 INHIBITORS PFIZER INC. (US) 2010-02-18 WO disclosed
US-20100041681-A1 2-AMINO PYRIMIDINE COMPOUNDS AS POTENT HSP-90 INHIBITORS PFIZER INC 2010-02-18 US disclosed
US-20100041681-A1 2-AMINO PYRIMIDINE COMPOUNDS AS POTENT HSP-90 INHIBITORS PFIZER INC 2010-02-18 US disclosed
WO-2010018481-A1 2-AMINO PYRIMIDINE COMPOUNDS AS POTENT HSP-90 INHIBITORS PFIZER INC. (US) 2010-02-18 WO disclosed
US-20100041681-A1 2-AMINO PYRIMIDINE COMPOUNDS AS POTENT HSP-90 INHIBITORS PFIZER INC 2010-02-18 US disclosed
US-5217963-A Antiischemic, antiepileptic agent CIBA-GEIGY CORPORATION (US) 1993-06-08 US disclosed
US-5057506-A Anticonvulsants, antispasmodic and antischemic agents CIBA-GEIGY CORPORATION (US) 1991-10-15 US disclosed
US-4906621-A Certain 2-carboxypiperidyl-alkylene phosphonic acids and esters thereof useful for the treatment of disorders responsive to N-methyl-D-aspartate receptor blockade CIBA-GEIGY CORPORATION (US) 1990-03-06 US disclosed
EP-0275820-A2 Unsaturated phosphonic acids and derivatives CIBA-GEIGY AG (CH) 1988-07-27 EP 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-20100041681-A1 2-AMINO PYRIMIDINE COMPOUNDS AS POTENT HSP-90 INHIBITORS HSP90AB2P, HSP90AB1, HSP90AA1 CA12 4804/4885CA1 4645/4885CA2 3907/4885
US-20100093696-A1 2-AMINO PYRIMIDINE COMPOUNDS HSP90AB2P, HSP90AB1, HSP90AA1 CA12 4790/4885CA1 4721/4885CA2 3802/4885

“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.