SCHEMBL1198655

SCHEMBL1198655

C[C@@H](O)[C@H]1C(=O)N2C(C(=O)OCc3ccc([N+](=O)[O-])cc3)=C(OP(=O)(Oc3ccccc3)Oc3ccccc3)[C@H](C)[C@@H]12

nearest known ligand 0.42

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
PLCG1 P19174 1/20 0.42
ELANE P08246 7/20 0.41
RAB9A P51151 1/20 0.38
TDP1 Q9NUW8 1/20 0.36
HTR2A P28223 1/20 0.36
HTT P42858 1/20 0.36

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
SCHEMBL337697 1.00 PLCG1 (0.42) PLCG1ELANERAB9ATDP1HTR2A
SCHEMBL14153496 1.00 PLCG1 (0.42) PLCG1ELANERAB9ATDP1HTR2A
SCHEMBL10013148 1.00 PLCG1 (0.42) PLCG1ELANERAB9ATDP1HTR2A
SCHEMBL407970 1.00 PLCG1 (0.42) PLCG1ELANERAB9ATDP1HTR2A
SCHEMBL8695596 1.00 PLCG1 (0.42) PLCG1ELANERAB9ATDP1HTR2A
SCHEMBL8924773 1.00 PLCG1 (0.42) PLCG1ELANERAB9ATDP1HTR2A
SCHEMBL13483984 1.00 PLCG1 (0.42) PLCG1ELANERAB9ATDP1HTR2A
SCHEMBL437737 1.00 PLCG1 (0.42) PLCG1ELANERAB9ATDP1HTR2A
SCHEMBL18977837 0.94 PLCG1 (0.40) PLCG1ELANERAB9AHTT
SCHEMBL10013149 0.94 PLCG1 (0.42) PLCG1ELANERAB9ATDP1HTR2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2177522-B1 NOVEL CARBAPENEM DERIVATIVES XUANZHU PHARMA CO LTD (CN) 2013-09-04 EP disclosed
US-8318716-B2 Carbapenem derivatives KBP BIOSCIENCES CO., LTD. (CN) 2012-11-27 US disclosed
US-8293895-B2 Carbapenem derivatives KBP BIOSCIENCES CO., LTD. (CN) 2012-10-23 US disclosed
US-20110160177-A1 NOVEL CARBAPENEM DERIVATIVES XUANZHU (HAINAN) BIOPHARMACEUTICAL CO., LTD. (CN) 2011-06-30 US disclosed
US-20110046107-A1 SULFONYL-SUBSTITUTED CARBAPENEM COMPOUNDS KBP BIOSCIENCES CO., LTD. (CN) 2011-02-24 US disclosed
US-20100197653-A1 NOVEL CARBAPENEM DERIVATIVES KBP BIOSCIENCES CO., LTD. (CN) 2010-08-05 US disclosed
EP-2177522-A1 NOVEL CARBAPENEM DERIVATIVES KBP Biosciences Co., Ltd. (CN) 2010-04-21 EP disclosed
EP-1686129-A1 Carbapenems, their preparation and use the synthesis of carbapenems Sandoz AG (CH) 2006-08-02 EP disclosed
US-20040198973-A1 Process for preparation of carbapenem antibiotics EISAI CO., LTD. (JP) 2004-10-07 US disclosed
EP-1426376-A1 PROCESS FOR PREPARATION OF CARBAPENEM ANTIBIOTICS Eisai Co., Ltd. (JP) 2004-06-09 EP disclosed
US-6642377-B1 Subjecting oxalate to salt exchange with alkali earth metal salt EISAI CO., LTD. (JP) 2003-11-04 US disclosed
US-6372914-B1 Intermediates useful for the manufacture of carbapenem and a stereoselective manufacturing method therefor EISAI CO., LTD. (JP) 2002-04-16 US disclosed
US-6218550-B1 MANUFACTURING (2S,4S)-2-(((R)-HYDROXY-(3R)-CYCLIC AMINE-3-YL)METHYL)PYRROLIDINE-4-THIOL OR A SALT THEREOF EISAI CO., LTD. (JP) 2001-04-17 US disclosed
EP-1020440-A1 INTERMEDIATES USEFUL IN PRODUCING CARBAPENEM AND PROCESS FOR THE STEREOSELECTIVE PRODUCTION OF THE SAME Eisai Co., Ltd. (JP) 2000-07-19 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 (4 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-20040198973-A1 Process for preparation of carbapenem antibiotics TREH, CXCL8, PCSK9 PLCG1 4279/4885ELANE 1655/4885RAB9A 1465/4885
US-20110046107-A1 SULFONYL-SUBSTITUTED CARBAPENEM COMPOUNDS SI, TREH, STS PLCG1 3941/4885ELANE 983/4885RAB9A 2171/4885
US-20110160177-A1 NOVEL CARBAPENEM DERIVATIVES MGAM, RPIA, MGAM2 PLCG1 2209/4885ELANE 2234/4885RAB9A 1757/4885
US-20100197653-A1 NOVEL CARBAPENEM DERIVATIVES SI, MGAM, IDE PLCG1 2224/4885ELANE 708/4885RAB9A 1622/4885

“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.