SCHEMBL3299043

SCHEMBL3299043

C1CCC(NC2CCCCC2)CC1.C=CC1=C(C(=O)O)N2C(=O)[C@@H](NC(=O)/C(=N\OC(c3ccccc3)(c3ccccc3)c3ccccc3)c3csc(N)n3)[C@@H]2SC1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TDP1 Q9NUW8 6/20 0.67
▸ APAF1 O14727 2/20 0.67
▸ LMNA P02545 1/20 0.67
▸ TSHR P16473 1/20 0.67
▸ APEX1 P27695 1/20 0.67
▸ PLCG1 P19174 1/20 0.67
▸ ABCC2 Q92887 1/20 0.67
▸ SIRT5 Q9NXA8 1/20 0.67
▸ L3MBTL1 Q9Y468 1/20 0.67
▸ PSMD14 O00487 1/20 0.66
▸ MMP2 P08253 1/20 0.66
▸ MAPT P10636 2/20 0.66
▸ ABCC4 O15439 1/20 0.66
▸ CNR1 P21554 1/20 0.66
▸ CTDSP1 Q9GZU7 1/20 0.66
▸ NR1I2 O75469 6/20 0.52
▸ HTR2C P28335 1/20 0.52
▸ PPARG P37231 2/20 0.51
▸ HPGD P15428 1/20 0.51
▸ ALB P02768 1/20 0.51

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
SCHEMBL3299039 1.00 TDP1 (0.67) TDP1APAF1LMNATSHRAPEX1
SCHEMBL5493473 1.00 TDP1 (0.67) TDP1APAF1LMNATSHRAPEX1
SCHEMBL4132476 1.00 TDP1 (0.67) TDP1APAF1LMNATSHRAPEX1
SCHEMBL3299820 0.94 TDP1 (0.67) TDP1APAF1LMNATSHRAPEX1
SCHEMBL4124260 0.94 TDP1 (0.75) TDP1APAF1LMNATSHRAPEX1
SCHEMBL4627402 0.94 TDP1 (0.75) TDP1APAF1LMNATSHRAPEX1
SCHEMBL5494777 0.94 TDP1 (0.75) TDP1APAF1LMNATSHRAPEX1
SCHEMBL4141299 0.94 TDP1 (0.75) TDP1APAF1LMNATSHRAPEX1
SCHEMBL10401059 0.94 TDP1 (0.75) TDP1APAF1LMNATSHRAPEX1
SCHEMBL4141307 0.94 TDP1 (0.75) TDP1APAF1LMNATSHRAPEX1

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-7741478-B2 Salts in the preparation of cephalosporin antibiotics ORCHID CHEMICALS & PHARMACEUTICALS LIMITED (IN) 2010-06-22 — — US disclosed
US-20080306256-A1 Salts in the Preparation of Cephalosporin Antibiodies ORCHID CHEMICALS & PHARMACEUTICALS LIMITED (IN) 2008-12-11 — — US disclosed
EP-1765833-A2 NEWS SALTS IN THE PREPARATION OF CEPHALOSPORIN ANTIBIOTICS Orchid Chemicals and Pharmaceuticals Limited (IN) 2007-03-28 — — EP disclosed
WO-2006006040-A2 NEWS DIAMINE SALTS OF CEPHALOSPORIN ANTIBIOTICS AND THEIR PREPARATION ORCHID CHEMICALS & PHARMACEUTICALS LIMITED (IN) 2006-01-19 — — 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 (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-20080306256-A1 Salts in the Preparation of Cephalosporin Antibiodies ABCB11, SLC10A1, NISCH TDP1 4358/4885APAF1 4262/4885LMNA 4024/4885

“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.

Send feedback