SCHEMBL7041829

SCHEMBL7041829

CC(=O)c1ncn2cc(C3=C(C(=O)OCc4ccc([N+](=O)[O-])cc4)N4C(=O)[C@H]([C@@H](C)O)[C@H]4[C@H]3C)sc12

nearest known ligand 0.36

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PLCG1 P19174 1/20 0.35
ELANE P08246 5/20 0.34
HTR2A P28223 1/20 0.34
L3MBTL1 Q9Y468 2/20 0.33
HTT P42858 2/20 0.33
POLB P06746 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
MAOB P27338 1/20 0.31
FAP Q12884 1/20 0.31

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
SCHEMBL7728957 0.94 PLCG1 (0.37) PLCG1ELANEHTR2AL3MBTL1HTT
SCHEMBL7728647 0.94 ELANE (0.36) PLCG1ELANEHTR2AL3MBTL1HTT
SCHEMBL7722446 0.94 ELANE (0.36) PLCG1ELANEHTR2AL3MBTL1HTT
SCHEMBL7730458 0.94 PLCG1 (0.35) PLCG1ELANEHTR2AL3MBTL1HTT
SCHEMBL7730230 0.94 PLCG1 (0.35) PLCG1ELANEHTR2AL3MBTL1HTT
SCHEMBL7631759 0.93 PLCG1 (0.36) PLCG1ELANEHTR2AL3MBTL1HTT
SCHEMBL7731024 0.93 PLCG1 (0.35) PLCG1ELANEHTR2AL3MBTL1HTT
SCHEMBL7722351 0.92 PLCG1 (0.34) PLCG1ELANEHTR2AL3MBTL1HTT
SCHEMBL7630879 0.92 PLCG1 (0.34) PLCG1ELANEHTR2AL3MBTL1HTT
SCHEMBL7729474 0.92 PLCG1 (0.34) PLCG1ELANEHTR2AL3MBTL1HTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20030149016-A1 Novel carbapenem derivatives KANO YUKO (JP) 2003-08-07 US disclosed
US-6458780-B1 IMIDAZO(5,1-B)THIAZOLE GROUP AT THE 2-POSITION ON THE CARBAPENEM RING HAVE HIGH ANTI-MICROBIAL ACTIVITIES AGAINST .BETA.-LACTAMASE PRODUCING BACTERIA, MRSA, RESISTANT-PSEUDOMONAS AERUGINOSA, PRSP, ENTEROCOCCI, AND MEIJI SEIKA KAISHA, LTD. (JP) 2002-10-01 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 (1 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-20030149016-A1 Novel carbapenem derivatives DPEP1, TMPRSS15, STK35 PLCG1 1638/4885ELANE 1214/4885HTR2A 4579/4885

“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.