SCHEMBL6399324

SCHEMBL6399324

O=C(OCc1ccc([N+](=O)[O-])cc1)C1=CS[C@@H]2CC(=O)N12

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.47
ATM Q13315 1/20 0.45
ALDH1A1 P00352 1/20 0.45
MAPT P10636 1/20 0.45
HPGD P15428 1/20 0.45
RAB9A P51151 1/20 0.45

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
SCHEMBL6399327 1.00 TDP1 (0.47) TDP1ATMALDH1A1MAPTHPGD
SCHEMBL4965365 1.00 TDP1 (0.47) TDP1ATMALDH1A1MAPTHPGD
SCHEMBL9390114 0.83 ELANE (0.59) TDP1
SCHEMBL9390111 0.83 ELANE (0.59) TDP1
SCHEMBL9385789 0.83 ELANE (0.43)
SCHEMBL9385796 0.83 ELANE (0.43)
SCHEMBL9385650 0.83 ELANE (0.47)
SCHEMBL9385648 0.83 ELANE (0.47)
SCHEMBL9384795 0.82 ELANE (0.44)
SCHEMBL10832933 0.81 ALDH1A1 (0.43) TDP1ATMALDH1A1MAPTHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050004092-A1 Penem derivatives and antimicrobial agent containing the same DAIICHI SUNTORY PHARMA CO., LTD. (JP) 2005-01-06 US disclosed
EP-0757051-B1 PENEM DERIVATIVES AND ANTIMICROBIAL AGENT CONTAINING THE SAME DAIICHI SUNTORY PHARMA CO LTD (JP) 2003-10-29 EP disclosed
CN-1048494-C Process for preparing carbapenen and penem compounds and new compounds involved in that process SANKYO CO (JP) 2000-01-19 CN disclosed
EP-0757051-A1 PENEM DERIVATIVES AND ANTIMICROBIAL AGENT CONTAINING THE SAME SUNTORY LIMITED (JP) 1997-02-05 EP disclosed
CN-1094728-A Prepare the method for carbapeneme and penem and the new compound that relates to SANKYO CO (JP) 1994-11-09 CN disclosed
US-4290948-A 2-THIOSUBSTITUTED PENICILLINS BEECHAM GROUP LIMITED (GB) 1981-09-22 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-20050004092-A1 Penem derivatives and antimicrobial agent containing the same MRPL21, MRPS2, MRPS28 TDP1 4736/4885ATM 3200/4885ALDH1A1 1862/4885

“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.