SCHEMBL800491

SCHEMBL800491

CC(C)/C=C(\Cc1cccnc1)C(=O)O

nearest known ligand 0.57

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
NAPRT Q6XQN6 1/20 0.57
TBXAS1 P24557 10/20 0.50
LMNA P02545 1/20 0.48
CYP1A2 P05177 1/20 0.48
CYP3A4 P08684 1/20 0.48
CYP2C9 P11712 1/20 0.48
KDM4E B2RXH2 1/20 0.47
EPHX2 P34913 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.44
ESR1 P03372 1/20 0.43
CYP19A1 P11511 1/20 0.43

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
SCHEMBL800484 0.82 CYP3A4 (0.58) CYP1A2CYP3A4CYP2C9L3MBTL1
SCHEMBL3078983 0.80 NAPRT (0.62) NAPRTTBXAS1LMNACYP1A2CYP3A4
SCHEMBL3078989 0.80 NAPRT (0.62) NAPRTTBXAS1LMNACYP1A2CYP3A4
SCHEMBL11844976 0.77 NAPRT (0.54) NAPRTTBXAS1LMNACYP1A2CYP3A4
SCHEMBL11844984 0.77 NAPRT (0.54) NAPRTTBXAS1LMNACYP1A2CYP3A4
SCHEMBL888708 0.74 NAPRT (0.62) NAPRTTBXAS1LMNACYP1A2CYP3A4
SCHEMBL800118 0.74 CA2 (0.52) LMNACYP3A4CYP2C9ESR1
SCHEMBL5310336 0.74 NAPRT (0.72) NAPRTTBXAS1CYP1A2CYP3A4CYP2C9
SCHEMBL10193626 0.73 NAPRT (0.57) NAPRTTBXAS1LMNACYP1A2CYP3A4
SCHEMBL48609 0.73 NAPRT (1.00) NAPRTTBXAS1CYP1A2CYP3A4CYP2C9

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 5 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-9115079-B2 NDM inhibitor MEIJI SEIKA PHARMA CO., LTD. (JP) 2015-08-25 US disclosed
US-20140221330-A1 NDM INHIBITOR MEIJI SEIKA PHARMA CO., LTD. (JP) 2014-08-07 US disclosed
US-20120071457-A1 METALLO-BETA-LACTAMASE INHIBITORS CHIKAUCHI KEN (JP) 2012-03-22 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-20120071457-A1 METALLO-BETA-LACTAMASE INHIBITORS ME1, MGAM, GAA NAPRT 1807/4885TBXAS1 3557/4885LMNA 1246/4885
US-20140221330-A1 NDM INHIBITOR MGAM, NQO1, NQO2 NAPRT 681/4885TBXAS1 4297/4885LMNA 1395/4885
US-20160151322-A1 METALLO-B-LACTAMASE INHIBITORS ME1, MGAM, MANBA NAPRT 1751/4885TBXAS1 3289/4885LMNA 1157/4885

“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.