Cephapirin

Cephapirin

SCHEMBL10275188

CC(=O)OCC1=C(C(=O)O)N2C(=O)[C@@H](NC(=O)CC#N)[C@H]2SC1.CC(=O)OCC1=C(C(=O)O)N2C(=O)[C@@H](NC(=O)CSc3ccncc3)[C@H]2SC1

nearest known ligand 0.88

Full drug profile on Sugi Atlas →

Known targets — ChEMBL curated mechanism

dacAdacBdacCftsImrcAmrcBmrdA

The experimentally established mechanism targets of Cephapirin. 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
NR1I2 O75469 3/20 0.88
ESR1 P03372 1/20 0.76
PGR P06401 1/20 0.76
PTGS2 P35354 1/20 0.76
KDR P35968 1/20 0.76
MAPT P10636 8/20 0.75
TDP1 Q9NUW8 7/20 0.75
CYP3A4 P08684 4/20 0.75
L3MBTL1 Q9Y468 4/20 0.75
HSD17B10 Q99714 3/20 0.75
POLB P06746 3/20 0.75
KDM4E B2RXH2 2/20 0.75
APEX1 P27695 2/20 0.75
LMNA P02545 2/20 0.75
RECQL P46063 1/20 0.75
CYP2D6 P10635 1/20 0.75
CA5A P35218 1/20 0.69
HPGD P15428 2/20 0.59
CTDSP1 Q9GZU7 2/20 0.59
DNMT1 P26358 1/20 0.59

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
Cephapirin SCHEMBL8194062 0.94 NR1I2 (1.00) NR1I2ESR1PGRPTGS2KDR
Cephapirin SCHEMBL11844804 0.94 NR1I2 (1.00) NR1I2ESR1PGRPTGS2KDR
Cephapirin SCHEMBL11844793 0.94 NR1I2 (1.00) NR1I2ESR1PGRPTGS2KDR
Cephapirin SCHEMBL3205 0.94 NR1I2 (1.00) NR1I2ESR1PGRPTGS2KDR
Cephapirin SCHEMBL16072823 0.94 NR1I2 (1.00) NR1I2ESR1PGRPTGS2KDR
Cephapirin SCHEMBL9437555 0.93 NR1I2 (0.98) NR1I2ESR1PGRPTGS2KDR
Cephapirin SCHEMBL151779 0.93 NR1I2 (0.98) NR1I2ESR1PGRPTGS2KDR
Cephapirin SCHEMBL28932665 0.93 NR1I2 (0.98) NR1I2ESR1PGRPTGS2KDR
Cephacetrile SCHEMBL11692952 0.87 NR1I2 (1.00) NR1I2ESR1PGRPTGS2KDR
Cephacetrile SCHEMBL11851060 0.87 NR1I2 (1.00) NR1I2ESR1PGRPTGS2KDR

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
US-20210094954-A1 PREPARATION METHODS AND APPLICATIONS OF 3,5-DISUBSTITUTED METHYLPYRAZOLO[1,5-A]PYRIMIDINE-7-HYDROXYLIC SALTS XU LIFENG (US) 2021-04-01 US claimed
US-20120178915-A1 PYRIMIDINE DERIVATIVES AND ANALOGS, PREPARATION METHOD AND USE THEREOF XU LIFENG (US) 2012-07-12 US claimed
US-20210094954-A1 PREPARATION METHODS AND APPLICATIONS OF 3,5-DISUBSTITUTED METHYLPYRAZOLO[1,5-A]PYRIMIDINE-7-HYDROXYLIC SALTS XU LIFENG (US) 2021-04-01 US disclosed
US-20120178915-A1 PYRIMIDINE DERIVATIVES AND ANALOGS, PREPARATION METHOD AND USE THEREOF XU LIFENG (US) 2012-07-12 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 (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-20210094954-A1 PREPARATION METHODS AND APPLICATIONS OF 3,5-DISUBSTITUTED METHYLPYRAZOLO[1,5-A]PYRIMIDINE-7-HYDROXYLIC SALTS DHPS, NUDT1, DPYD NR1I2 3339/4885ESR1 3756/4885PGR 2664/4885
US-20120178915-A1 PYRIMIDINE DERIVATIVES AND ANALOGS, PREPARATION METHOD AND USE THEREOF TYMP, TYMS, ADORA3 NR1I2 1718/4885ESR1 2278/4885PGR 3472/4885

“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.