SCHEMBL2593594

SCHEMBL2593594

CC(OC(=O)N[C@H]1C(O)OC(CO)C(O)C1O)c1ccccc1

nearest known ligand 0.55

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HK1 P19367 4/20 0.55
HK2 P52789 4/20 0.55
MAPK1 P28482 1/20 0.46
KDM4E B2RXH2 1/20 0.44
LMNA P02545 1/20 0.44
CYP2D6 P10635 1/20 0.44
CYP2C19 P33261 1/20 0.44
ALDH1A1 P00352 2/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
NAAA Q02083 1/20 0.42
MMP12 P39900 1/20 0.40
THRB P10828 1/20 0.40

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
SCHEMBL22282177 0.81 LMNA (0.53) HK1HK2MAPK1KDM4ELMNA
SCHEMBL22861341 0.81 LMNA (0.53) HK1HK2MAPK1KDM4ELMNA
SCHEMBL28953497 0.79 HK1 (0.60) HK1HK2MAPK1KDM4ELMNA
SCHEMBL15514410 0.79 HK1 (0.47) HK1HK2MAPK1KDM4ELMNA
SCHEMBL15508120 0.79 HK1 (0.47) HK1HK2MAPK1KDM4ELMNA
SCHEMBL14780667 0.77 HK1 (0.58) HK1HK2KDM4ELMNACYP2D6
SCHEMBL10521162 0.77 HK1 (0.58) HK1HK2KDM4ELMNACYP2D6
SCHEMBL18803484 0.77 HK1 (0.58) HK1HK2KDM4ELMNACYP2D6
SCHEMBL15763312 0.77 HK1 (0.58) HK1HK2KDM4ELMNACYP2D6
SCHEMBL10522400 0.77 HK1 (0.58) HK1HK2KDM4ELMNACYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20200331860-A1 C-Met Modulators and Methods of Use EXELIXIS INC (US) 2020-10-22 US disclosed
US-20180118724-A1 Receptor-Type Kinase Modulators and Methods of Use SYMPHONY EVOLUTION, INC. (US) 2018-05-03 US disclosed
US-8067436-B2 N-(4-{[7-{[3-(diethylamino)propyl] oxy}-6-(methyloxy) quinazolin-4-yl]oxy}-3- fluorophenyl)-N'-(4- fluorophenyl) cyclopropane-1,1-dicarboxamide; for modulating protein kinase enzymatic activity for modulating cell activities such as proliferation, differentiation, programmed cell death EXELIXIS, INC. (US) 2011-11-29 US disclosed
US-20090105299-A1 c-MET MODULATORS AND METHODS OF USE EXELIXIS, INC (US) 2009-04-23 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-20200331860-A1 C-Met Modulators and Methods of Use FLT4, FLT1, MET HK1 767/4885HK2 939/4885MAPK1 521/4885
US-20180118724-A1 Receptor-Type Kinase Modulators and Methods of Use EGFR, EPHA2, ERBB4 HK1 1088/4885HK2 1335/4885MAPK1 185/4885
US-20090105299-A1 c-MET MODULATORS AND METHODS OF USE FLT4, MET, FLT1 HK1 485/4885HK2 623/4885MAPK1 553/4885

“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.