SCHEMBL5230213

SCHEMBL5230213

O=C(OCc1ccc([N+](=O)[O-])cc1)N1CCC[C@H]1C(O)c1ncn2ccsc12

nearest known ligand 0.37

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PREP P48147 4/20 0.37
DPP8 Q6V1X1 2/20 0.35
DPP9 Q86TI2 2/20 0.35
DPP4 P27487 1/20 0.35
DPP7 Q9UHL4 1/20 0.35
MAPT P10636 2/20 0.35
ALDH1A1 P00352 1/20 0.35
LMNA P02545 1/20 0.35
HPGD P15428 1/20 0.35
RAB9A P51151 2/20 0.34
KLK7 P49862 1/20 0.34
KLK5 Q9Y337 1/20 0.34
CCR5 P51681 1/20 0.33
CTRB1 P17538 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2C9 P11712 1/20 0.33
TSHR P16473 1/20 0.33

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
SCHEMBL5233372 0.82 PREP (0.41) PREPMAPTALDH1A1LMNAHPGD
SCHEMBL5235449 0.81 ALDH1A1 (0.32) MAPTALDH1A1HPGDRAB9ACCR5
SCHEMBL7007006 0.81 ALDH1A1 (0.32) MAPTALDH1A1HPGDRAB9ACCR5
SCHEMBL6623462 0.74 GRIN2B (0.38) MAPTALDH1A1LMNARAB9A
SCHEMBL6623310 0.73 L3MBTL1 (0.35) DPP8DPP9MAPTALDH1A1LMNA
SCHEMBL5233019 0.73 POLB (0.36) MAPTALDH1A1HPGDRAB9A
SCHEMBL7487246 0.71 GRIN2B (0.36) MAPTALDH1A1LMNARAB9A
SCHEMBL5235456 0.71 CCR5 (0.32) MAPTALDH1A1HPGDCCR5
SCHEMBL10641883 0.70 ALDH1A1 (0.56) PREPDPP8DPP9DPP4DPP7
SCHEMBL6216080 0.70 PREP (0.54) PREPMAPTALDH1A1LMNARAB9A

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
EP-1336612-B1 NOVEL CARBAPENEM DERIVATIVES MEIJI SEIKA KAISHA (JP) 2007-01-17 EP disclosed
US-6908913-B2 Carbapenem derivatives MEIJI SEIKI KAISHA, LTD. (JP) 2005-06-21 US disclosed
US-20040038967-A1 Novel carbapenem derivatives MEIJI SEIKI KAISHA, LTD. (JP) 2004-02-26 US disclosed
EP-1336612-A1 NOVEL CARBAPENEM DERIVATIVES MEIJI SEIKA KAISHA LTD. (JP) 2003-08-20 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-20040038967-A1 Novel carbapenem derivatives DHPS, HAMP, MCRS1 PREP 17/4885DPP8 213/4885DPP9 481/4885

“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.