SCHEMBL7043233

SCHEMBL7043233

C[C@@H](O)[C@H]1C(=O)N2C(C(=O)OCc3ccc([N+](=O)[O-])cc3)=C(c3cn4c(S(C)(=O)=O)nc(S(C)(=O)=O)c4s3)[C@H](C)[C@H]12

nearest known ligand 0.36

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PLCG1 P19174 1/20 0.35
ELANE P08246 5/20 0.34
HTR2A P28223 1/20 0.33
ALDH1A1 P00352 1/20 0.33
POLB P06746 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
L3MBTL1 Q9Y468 2/20 0.30
HTT P42858 2/20 0.30

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
SCHEMBL7730698 0.94 PLCG1 (0.36) PLCG1ELANEHTR2AALDH1A1POLB
SCHEMBL7107365 0.93 PLCG1 (0.33) PLCG1ELANEHTR2AALDH1A1
SCHEMBL7722383 0.93 PLCG1 (0.34) PLCG1ELANEHTR2AALDH1A1HTT
SCHEMBL7732306 0.88 PLCG1 (0.35) PLCG1ELANEHTR2AALDH1A1POLB
SCHEMBL7730574 0.87 PLCG1 (0.35) PLCG1ELANEHTR2AALDH1A1POLB
SCHEMBL7832539 0.87
SCHEMBL7728199 0.85 L3MBTL1 (0.39) PLCG1ELANEHTR2APOLBSMN1; SMN2
SCHEMBL7722449 0.85 PLCG1 (0.38) PLCG1ELANEHTR2APOLBSMN1; SMN2
SCHEMBL7729063 0.84 PLCG1 (0.38) PLCG1ELANEHTR2AALDH1A1POLB
SCHEMBL7734511 0.84 PLCG1 (0.36) PLCG1ELANEHTR2AALDH1A1POLB

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.