SCHEMBL5880313

SCHEMBL5880313

CO/N=C(/C(=O)O)C(=O)CCl

nearest known ligand 0.32

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.32

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
SCHEMBL3767458 1.00 TSHR (0.32) TSHR
SCHEMBL3767455 1.00 TSHR (0.32) TSHR
Hydrochloric Acid SCHEMBL5880365 0.98 TSHR (0.31) TSHR
Trimethylammonium SCHEMBL27325918 0.94
SCHEMBL3767653 0.83
SCHEMBL14257118 0.83
SCHEMBL3767656 0.83
SCHEMBL6133165 0.81 TSHR (0.31) TSHR
SCHEMBL3549809 0.81 TSHR (0.31) TSHR
SCHEMBL3549805 0.81 TSHR (0.31) TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4959495-A Process for the preparation of intermediates used to produce aminothiazoloximino cephalosporins AMERICAN CYANAMID COMPANY (US) 1990-09-25 US claimed
EP-0257275-A2 Cephalosporin and penicillin derivatives AMERICAN CYANAMID COMPANY (US) 1988-03-02 EP claimed
US-7098329-B2 Process for the preparation of a cephalosporin antibiotic ORCHID CHEMICALS & PHARMACEUTICALS LTD. (IN) 2006-08-29 US disclosed
US-20050027118-A1 Process for the preparation of a cephalosporin antibiotic ORCHID CHEMICALS & PHARMACEUTICALS, LTD. (IN) 2005-02-03 US disclosed
WO-2004111059-A1 A PROCESS FOR THE PREPARATION OF A CEPHALOSPORIN ANTIBIOTIC ORCHID CHEMICALS & PHARMACEUTICALS LTD (IN) 2004-12-23 WO disclosed
WO-2004083216-A1 A PROCESS FOR THE PREPARATION OF CEPHALOSPORINS ORCHID CHEMICALS & PHARMACEUTICALS LTD (IN) 2004-09-30 WO disclosed
US-20040132995-A1 Process for the preparation of cephalosporins ORCHID CHEMICALS & PHARMACEUTICALS, LTD. (IN) 2004-07-08 US disclosed
US-5066799-A Intermediates for the preparation of aminothiazoloximino cephalosporins AMERICAN CYANAMID COMPANY (US) 1991-11-19 US disclosed
US-4959495-A Process for the preparation of intermediates used to produce aminothiazoloximino cephalosporins AMERICAN CYANAMID COMPANY (US) 1990-09-25 US disclosed
EP-0257275-A2 Cephalosporin and penicillin derivatives AMERICAN CYANAMID COMPANY (US) 1988-03-02 EP 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-20040132995-A1 Process for the preparation of cephalosporins CYP2F1, CYP7A1, MRPL21 TSHR 3849/4885
US-20050027118-A1 Process for the preparation of a cephalosporin antibiotic SLC6A6, TST, TREH TSHR 2627/4885

“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.