SCHEMBL12374918

SCHEMBL12374918

C=CC1=C(C(=O)O)N2C(=O)[C@@H](N)C2SC1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 6/20 0.55
MAPT P10636 2/20 0.55
POLB P06746 1/20 0.55
PKM P14618 1/20 0.55
HTT P42858 1/20 0.55
DUSP3 P51452 1/20 0.55
PTPN5 P54829 1/20 0.55
PTPN11 Q06124 1/20 0.55
TSHR P16473 2/20 0.53
KDM4E B2RXH2 1/20 0.53
HSD17B10 Q99714 1/20 0.53
SPOP O43791 11/20 0.52
ABCC4 O15439 1/20 0.48
CNR1 P21554 1/20 0.48
CTDSP1 Q9GZU7 1/20 0.48
HPGD P15428 1/20 0.47
APAF1 O14727 2/20 0.43
LMNA P02545 1/20 0.43
APEX1 P27695 1/20 0.43
PLCG1 P19174 1/20 0.43

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
SCHEMBL7770365 1.00 TDP1 (0.55) TDP1MAPTPOLBPKMHTT
SCHEMBL5284761 1.00 TDP1 (0.55) TDP1MAPTPOLBPKMHTT
SCHEMBL1131848 1.00 TDP1 (0.55) TDP1MAPTPOLBPKMHTT
SCHEMBL1131847 1.00 TDP1 (0.55) TDP1MAPTPOLBPKMHTT
SCHEMBL5592457 1.00 TDP1 (0.55) TDP1MAPTPOLBPKMHTT
Hydrochloric Acid SCHEMBL9483729 0.99 TDP1 (0.54) TDP1MAPTPOLBPKMHTT
Hydrochloric Acid SCHEMBL9483725 0.99 TDP1 (0.54) TDP1MAPTPOLBPKMHTT
SCHEMBL1132036 0.88 TDP1 (0.55) TDP1MAPTPOLBPKMHTT
SCHEMBL1132035 0.88 TDP1 (0.55) TDP1MAPTPOLBPKMHTT
SCHEMBL1132808 0.88 TDP1 (0.55) TDP1MAPTPOLBPKMHTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2873736-A1 Chemoenzymatic synthesis of the cephalosporine intermediate 7-amino-3-alkenylcephem-4-carboxylic acid Sandoz AG (CH) 2015-05-20 EP disclosed
US-8008478-B2 Process for the preparation of cefixime LUPIN LIMITED (IN) 2011-08-30 US disclosed
US-8008478-B2 Process for the preparation of cefixime LUPIN LIMITED (IN) 2011-08-30 US disclosed
US-7825241-B2 Cefdinir intermediate SANDOZ AG (CH) 2010-11-02 US disclosed
US-7825241-B2 Cefdinir intermediate SANDOZ AG (CH) 2010-11-02 US disclosed
US-20090227787-A1 PROCESS FOR THE PREPARATION OF CEFIXIME LUPIN LIMITED (IN) 2009-09-10 US disclosed
US-20090227787-A1 PROCESS FOR THE PREPARATION OF CEFIXIME LUPIN LIMITED (IN) 2009-09-10 US disclosed
US-20080081906-A1 CEFDINIR INTERMEDIATE KREMMINGER PETER 2008-04-03 US disclosed
US-20080081906-A1 CEFDINIR INTERMEDIATE KREMMINGER PETER 2008-04-03 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-20090227787-A1 PROCESS FOR THE PREPARATION OF CEFIXIME CYP4F8, CYP3A5, CYP2F1 TDP1 4577/4885MAPT 4007/4885POLB 2778/4885
US-20080081906-A1 CEFDINIR INTERMEDIATE PCMT1, AASDHPPT, SULT1E1 TDP1 4740/4885MAPT 2866/4885POLB 2615/4885

“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.