SCHEMBL6894060

SCHEMBL6894060

C[C@@H](O)[C@H]1C(=O)N2C(C(=O)O)=C(c3sc4cncn4c3-c3ccccc3)C[C@H]12

nearest known ligand 0.40

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 17/20 0.40
TDO2 P48775 15/20 0.40
KDM4E B2RXH2 1/20 0.37
LMNA P02545 1/20 0.37
ESR1 P03372 1/20 0.37
CHRM1 P11229 1/20 0.37
SLC6A4 P31645 1/20 0.37
KCNH2 Q12809 1/20 0.37
SLC29A1 Q99808 1/20 0.37

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
SCHEMBL7722543 0.92 IDO1 (0.38) IDO1TDO2KDM4ELMNAESR1
SCHEMBL7628637 0.87 KDM4E (0.41) IDO1TDO2KDM4ELMNAESR1
SCHEMBL7631777 0.84 IDO1 (0.40) IDO1TDO2KDM4ELMNAESR1
SCHEMBL6892458 0.84 KDM4E (0.40) IDO1TDO2KDM4ELMNAESR1
SCHEMBL6893929 0.84 KDM4E (0.40) IDO1TDO2KDM4ELMNAESR1
SCHEMBL6894075 0.83 KDM4E (0.42) IDO1TDO2KDM4ELMNAESR1
SCHEMBL7730136 0.82 PLCG1 (0.40) IDO1TDO2
SCHEMBL7648140 0.82 IDO1 (0.40) IDO1TDO2KDM4ELMNAESR1
SCHEMBL7626740 0.78 KDM4E (0.41) IDO1TDO2KDM4ELMNAESR1
SCHEMBL6897271 0.77 KDM4E (0.36) KDM4ELMNAESR1CHRM1SLC6A4

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 3 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
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 IDO1 58/4885TDO2 497/4885KDM4E 1406/4885

“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.