Ampicillin

Ampicillin

SCHEMBL11985596

CC1(C)SC2[C@H](NC(=O)[C@H](N)c3ccccc3)C(=O)N2[C@H]1C(=O)O

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Full drug profile on Sugi Atlas →

Known targets — ChEMBL curated mechanism

dacAdacBdacCftsImrcAmrcBmrdA

The experimentally established mechanism targets of Ampicillin. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 10/20 1.00
RECQL P46063 4/20 1.00
HPGD P15428 4/20 1.00
TDP1 Q9NUW8 3/20 1.00
POLB P06746 2/20 1.00
MEN1 O00255 1/20 1.00
KMT2A Q03164 1/20 1.00
TEK Q02763 1/20 1.00
SLC15A2 Q16348 1/20 1.00
LMNA P02545 6/20 0.98
TSHR P16473 2/20 0.98
RARB P10826 1/20 0.84
RARG P13631 1/20 0.84
NR1H2 P55055 1/20 0.84
NR1H3 Q13133 1/20 0.84
NR1I3 Q14994 1/20 0.84
CYP3A4 P08684 5/20 0.82
HSD17B10 Q99714 2/20 0.82
GLA P06280 1/20 0.82
BLM P54132 1/20 0.82

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
Ampicillin SCHEMBL3467975 1.00 KDM4E (1.00) KDM4ERECQLHPGDTDP1POLB
Ampicillin SCHEMBL14148474 1.00 KDM4E (1.00) KDM4ERECQLHPGDTDP1POLB
Ampicillin SCHEMBL9528765 1.00 KDM4E (1.00) KDM4ERECQLHPGDTDP1POLB
Ampicillin SCHEMBL2282070 1.00 KDM4E (1.00) KDM4ERECQLHPGDTDP1POLB
Ampicillin SCHEMBL13014516 1.00 KDM4E (1.00) KDM4ERECQLHPGDTDP1POLB
Ampicillin SCHEMBL24312533 1.00 KDM4E (1.00) KDM4ERECQLHPGDTDP1POLB
Ampicillin SCHEMBL13240124 1.00 KDM4E (1.00) KDM4ERECQLHPGDTDP1POLB
Ampicillin SCHEMBL15577318 1.00 KDM4E (1.00) KDM4ERECQLHPGDTDP1POLB
Ampicillin SCHEMBL22380861 1.00 KDM4E (1.00) KDM4ERECQLHPGDTDP1POLB
Ampicillin SCHEMBL13007617 1.00 KDM4E (1.00) KDM4ERECQLHPGDTDP1POLB

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-8569013-B2 Penicillin-G acylases CODEXIS, INC. (US) 2013-10-29 US disclosed
US-20120270282-A1 PENICILLIN-G ACYLASES CODEXIS, INC. (US) 2012-10-25 US disclosed
US-8247192-B2 Penicillin-G acylases CODEXIS, INC. (US) 2012-08-21 US disclosed
US-20100143968-A1 PENICILLIN-G ACYLASES CODEXIS, INC. (US) 2010-06-10 US disclosed
US-20100143968-A1 PENICILLIN-G ACYLASES CODEXIS, INC. (US) 2010-06-10 US disclosed
WO-2010054319-A2 PENICILLIN-G ACYLASES CODEXIS, INC. (US) 2010-05-14 WO 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 (2 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-20120270282-A1 PENICILLIN-G ACYLASES PGLS, PNP, NAAA KDM4E 1645/4885RECQL 474/4885HPGD 418/4885
US-20100143968-A1 PENICILLIN-G ACYLASES PGLS, PNP, NAAA KDM4E 1645/4885RECQL 474/4885HPGD 418/4885

“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.