SCHEMBL19990660

SCHEMBL19990660

C=CCN1C[C@@H]2C[C@@H](N(OCc3ccccc3)S(=O)(=O)c3ccccc3[N+](=O)[O-])CN[C@@H]2C1=O

nearest known ligand 0.36

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.36
MEN1 O00255 3/20 0.36
POLB P06746 2/20 0.36
ALDH1A1 P00352 2/20 0.36
LMNA P02545 1/20 0.36
AR P10275 1/20 0.33
PKM P14618 1/20 0.32
PTPN1 P18031 1/20 0.31
NPC1 O15118 1/20 0.31
RAB9A P51151 1/20 0.31

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
SCHEMBL22368492 1.00 KMT2A (0.36) KMT2AMEN1POLBALDH1A1LMNA
SCHEMBL20009182 0.88 KMT2A (0.39) KMT2AMEN1POLBALDH1A1LMNA
SCHEMBL20009188 0.86 KMT2A (0.37) KMT2AMEN1POLBALDH1A1LMNA
SCHEMBL19990607 0.83 KMT2A (0.35) KMT2AMEN1POLBALDH1A1LMNA
SCHEMBL23953051 0.81 KMT2A (0.34) KMT2AMEN1POLBALDH1A1LMNA
SCHEMBL22368503 0.80 MEN1 (0.36) KMT2AMEN1POLBALDH1A1LMNA
SCHEMBL23927101 0.80 MEN1 (0.36) KMT2AMEN1POLBALDH1A1LMNA
SCHEMBL20009185 0.74 KMT2A (0.40) KMT2AMEN1POLBALDH1A1LMNA
SCHEMBL22368477 0.70 TGM2 (0.33) ALDH1A1LMNA
SCHEMBL19990663 0.67 KMT2A (0.34) KMT2AMEN1POLBALDH1A1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-109843894-B Beta-lactamase inhibitors 诺华股份有限公司 2022-02-08 CN disclosed
EP-3698796-B1 PHARMACEUTICAL COMBINATION OF A TRICYCLIC BETA-LACTAMASE INHIBITOR WITH SPECIFIC BETA-LACTAM ANTIBIOTICS NOVARTIS AG (CH) 2021-10-27 EP disclosed
EP-3698796-A1 PHARMACEUTICAL COMBINATION OF A TRICYCLIC BETA-LACTAMASE INHIBITOR WITH SPECIFIC BETA-LACTAM ANTIBIOTICS Novartis AG (CH) 2020-08-26 EP disclosed
EP-3519419-B1 BETA-LACTAMASE INHIBITORS NOVARTIS AG (CH) 2020-05-27 EP disclosed
US-10597396-B2 Beta-lactamase inhibitors NOVARTIS AG (CH) 2020-03-24 US disclosed
US-20190177324-A1 BETA-LACTAMASE INHIBITORS NOVARTIS AG (CH) 2019-06-13 US disclosed
US-20190177324-A1 BETA-LACTAMASE INHIBITORS NOVARTIS AG (CH) 2019-06-13 US disclosed
US-10065957-B2 Beta-lactamase inhibitors NOVARTIS AG (CH) 2018-09-04 US disclosed
US-20180086762-A1 BETA-LACTAMASE INHIBITORS NOVARTIS AG (CH) 2018-03-29 US disclosed
US-20180086762-A1 BETA-LACTAMASE INHIBITORS NOVARTIS AG (CH) 2018-03-29 US disclosed
US-20180086762-A1 BETA-LACTAMASE INHIBITORS NOVARTIS AG (CH) 2018-03-29 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 (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-20190177324-A1 BETA-LACTAMASE INHIBITORS MGAM, LCT, GAA KMT2A 1342/4885MEN1 3698/4885POLB 527/4885
US-10597396-B2 Beta-lactamase inhibitors MGAM, LCT, GAA KMT2A 1342/4885MEN1 3698/4885POLB 527/4885
US-20180086762-A1 BETA-LACTAMASE INHIBITORS MGAM, LCT, GAA KMT2A 1342/4885MEN1 3698/4885POLB 527/4885
US-10065957-B2 Beta-lactamase inhibitors MGAM, LCT, GAA KMT2A 1342/4885MEN1 3698/4885POLB 527/4885

“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.