SCHEMBL6894052

SCHEMBL6894052

C[C@@H](O)[C@H]1C(=O)N2C(C(=O)O)=C(c3cn4cnc(C(=O)CNC(=O)OCc5ccc([N+](=O)[O-])cc5)c4s3)C[C@H]12

nearest known ligand 0.40

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PLCG1 P19174 1/20 0.35
DPP8 Q6V1X1 1/20 0.32
DPP9 Q86TI2 1/20 0.32
TDP1 Q9NUW8 1/20 0.31
KDM4E B2RXH2 1/20 0.31
LMNA P02545 1/20 0.31
HTR2A P28223 1/20 0.31
ELANE P08246 1/20 0.31
ATM Q13315 1/20 0.30
ALDH1A1 P00352 1/20 0.30
MAPT P10636 1/20 0.30
HPGD P15428 1/20 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
SCHEMBL7730048 0.95 PLCG1 (0.36) PLCG1DPP8DPP9HTR2AELANE
SCHEMBL6891104 0.92 PLCG1 (0.32) PLCG1DPP8DPP9
SCHEMBL6624626 0.88 KDM4E (0.34) PLCG1DPP8DPP9TDP1KDM4E
SCHEMBL6889515 0.87 PLCG1 (0.32) PLCG1DPP8DPP9HTR2AELANE
SCHEMBL7728210 0.87 PLCG1 (0.33) PLCG1DPP8DPP9
SCHEMBL7722500 0.86 PLCG1 (0.37) PLCG1HTR2AELANEALDH1A1MAPT
SCHEMBL7722214 0.86 PLCG1 (0.37) PLCG1TDP1HTR2AELANEALDH1A1
SCHEMBL8196175 0.85 PLCG1 (0.38) PLCG1TDP1HTR2AELANEALDH1A1
SCHEMBL7722332 0.85 PLCG1 (0.37) PLCG1HTR2AELANEALDH1A1MAPT
SCHEMBL7728648 0.84 PLCG1 (0.37) PLCG1TDP1HTR2AELANEALDH1A1

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-6677331-B2 HAVING SUBSTITUTED IMIDAZO(5,1-B)THIAZOLE GROUP AT 2-POSITION; MICROBIOCIDES AGAINST BETA-LACTAMASE PRODUCING BACTERIA AND RESISTANT PSEUDOMONAS MEIJI SEIKA KAISHA, LTD. (JP) 2004-01-13 US disclosed
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
EP-1101766-A1 NOVEL CARBAPENEM DERIVATIVES MEIJI SEIKA KAISHA LTD. (JP) 2001-05-23 EP 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 1638/4885DPP8 85/4885DPP9 88/4885

“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.