SCHEMBL305273

SCHEMBL305273

CCOC(=O)CCc1ccc(C(C)(C)C)cc1O[SiH](C)C

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CYP4F2 P78329 3/20 0.44
CYP4A11 Q02928 3/20 0.44
SMN1; SMN2 Q16637 2/20 0.38
CYP2C9 P11712 2/20 0.38
CYP2C19 P33261 2/20 0.38
ALDH1A1 P00352 2/20 0.38
GAA P10253 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2D6 P10635 1/20 0.38
MAPT P10636 2/20 0.37
NPSR1 Q6W5P4 1/20 0.37
LMNA P02545 1/20 0.37
POLB P06746 1/20 0.36
NR1H4 Q96RI1 1/20 0.35
REN P00797 1/20 0.35
KDM4E B2RXH2 1/20 0.35
HPGD P15428 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
SCHEMBL7535667 0.87 NPSR1 (0.38) SMN1; SMN2CYP2C19ALDH1A1MAPTNPSR1
SCHEMBL7999289 0.84 NPSR1 (0.40) CYP2C19ALDH1A1CYP1A2NPSR1LMNA
SCHEMBL4266306 0.84 NPSR1 (0.51) SMN1; SMN2CYP2C19NPSR1POLBNR1H4
SCHEMBL4261597 0.83 TP53 (0.41) SMN1; SMN2CYP2C19ALDH1A1NPSR1NR1H4
SCHEMBL28362500 0.78 CYP4F2 (0.47) CYP4F2CYP4A11SMN1; SMN2CYP2C9CYP2C19
SCHEMBL14874417 0.78 CYP4F2 (0.47) CYP4F2CYP4A11ALDH1A1GAAPOLB
SCHEMBL7586102 0.76 CYP2C19 (0.34) CYP2C19ALDH1A1GAACYP1A2CYP2D6
SCHEMBL28362496 0.75 CYP4F2 (0.47) CYP4F2CYP4A11SMN1; SMN2CYP2C9CYP2C19
SCHEMBL8113705 0.75 KLF10 (0.39) CYP2C19ALDH1A1GAACYP1A2CYP2D6
SCHEMBL8895341 0.73 CYP2C19 (0.36) SMN1; SMN2CYP2C19ALDH1A1MAPTNPSR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160151322-A1 METALLO-B-LACTAMASE INHIBITORS MEIJI SEIKA KAISHA (JP) 2016-06-02 US disclosed
US-9260375-B2 Metallo-β-lactamase inhibitors MEIJI SEIKA KAISHA, LTD. (JP) 2016-02-16 US disclosed
US-20120071457-A1 METALLO-BETA-LACTAMASE INHIBITORS CHIKAUCHI KEN (JP) 2012-03-22 US disclosed
US-8093294-B2 Bacterial infections; effective for recovering the activities of beta-lactam antibiotics; 2-ethyl-3-methylmaleic acid dimethyl ester; maleic acid derivatives and/or dihydrofuranyl derivatives MEIJI SEIKA KAISHA, LTD. (JP) 2012-01-10 US disclosed
EP-1941873-A1 METALLO-BETA-LACTAMASE INHIBITOR MEIJI SEIKA KAISHA LTD. (JP) 2008-07-09 EP disclosed
US-20080090825-A1 Metallo-beta-lactamase inhibitors MEIJI SEIKA KAISHA, LTD. (JP) 2008-04-17 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-20080090825-A1 Metallo-beta-lactamase inhibitors ME1, MGAM, GAA CYP4F2 1625/4885CYP4A11 1497/4885SMN1; SMN2 2666/4885
US-20120071457-A1 METALLO-BETA-LACTAMASE INHIBITORS ME1, MGAM, GAA CYP4F2 1625/4885CYP4A11 1497/4885SMN1; SMN2 2666/4885
US-20160151322-A1 METALLO-B-LACTAMASE INHIBITORS ME1, MGAM, MANBA CYP4F2 1614/4885CYP4A11 1459/4885SMN1; SMN2 2687/4885

“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.