SCHEMBL10811905

SCHEMBL10811905

CC(=O)OCC1=C(C(=O)O)N2C(=O)[C@@H](NC(=O)C(NC(=O)OC(C)(C)C)c3ccccc3)[C@H]2SC1

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PTGS1 P23219 1/20 0.71
▸ L3MBTL1 Q9Y468 4/20 0.65
▸ TDP1 Q9NUW8 6/20 0.63
▸ CTDSP1 Q9GZU7 3/20 0.62
▸ MAPT P10636 7/20 0.57
▸ NR1I2 O75469 3/20 0.57
▸ HPGD P15428 2/20 0.57
▸ DNMT1 P26358 2/20 0.57
▸ SLC22A6 Q4U2R8 1/20 0.57
▸ SLC22A8 Q8TCC7 1/20 0.57
▸ SLC22A11 Q9NSA0 1/20 0.57
▸ ESR1 P03372 1/20 0.55
▸ PGR P06401 1/20 0.55
▸ PTGS2 P35354 1/20 0.55
▸ KDR P35968 1/20 0.55
▸ MAPK1 P28482 2/20 0.54
▸ POLB P06746 3/20 0.52
▸ ALDH1A1 P00352 4/20 0.51
▸ HSD17B10 Q99714 2/20 0.49
▸ KDM4E B2RXH2 1/20 0.49

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
SCHEMBL11061430 1.00 PTGS1 (0.71) PTGS1L3MBTL1TDP1CTDSP1MAPT
SCHEMBL11444166 1.00 PTGS1 (0.71) PTGS1L3MBTL1TDP1CTDSP1MAPT
SCHEMBL10811911 1.00 PTGS1 (0.71) PTGS1L3MBTL1TDP1CTDSP1MAPT
SCHEMBL11215786 1.00 PTGS1 (0.71) PTGS1L3MBTL1TDP1CTDSP1MAPT
SCHEMBL11519106 1.00 PTGS1 (0.71) PTGS1L3MBTL1TDP1CTDSP1MAPT
SCHEMBL11841581 1.00 PTGS1 (0.71) PTGS1L3MBTL1TDP1CTDSP1MAPT
SCHEMBL32670889 0.94 CTDSP1 (0.70) PTGS1L3MBTL1TDP1CTDSP1MAPT
SCHEMBL11423431 0.94 PTGS1 (0.63) PTGS1L3MBTL1TDP1CTDSP1MAPT
SCHEMBL11225982 0.94 PTGS1 (0.63) PTGS1L3MBTL1TDP1CTDSP1MAPT
SCHEMBL11423429 0.94 PTGS1 (0.63) PTGS1L3MBTL1TDP1CTDSP1MAPT

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 36 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210277023-A1 ANTIBIOTIC CONJUGATES UNIVERSITY OF NOTRE DAME DU LAC (US) 2021-09-09 — — US disclosed
US-4668781-A Ceph-3-one compounds and process for their manufacture CIBA-GEIGY CORPORATION (US) 1987-05-26 — — US disclosed
US-4591642-A Cephem and cepham derivatives CIBA-GEIGY CORPORATION (US) 1986-05-27 — — US disclosed
US-4477658-A Process for the preparation of cepham and cephem compounds CIBA-GEIGY CORPORATION (US) 1984-10-16 — — US disclosed
US-4405778-A Process for preparing cephalosporin ethers CIBA-GEIGY CORPORATION (US) 1983-09-20 — — US disclosed
US-4389524-A Cepham compounds CIBA-GEIGY CORPORATION (US) 1983-06-21 — — US disclosed
US-4178288-A Sulfaminoalkyl substituted tetrazole thiol intermediates for preparing cephalosporins SMITHKLINE CORPORATION (US) 1979-12-11 — — US disclosed
US-4171368-A 7-Acylamino-3-(sulfaminoalkyl substituted tetrazolylthiomethyl)cephalosporins, antibacterial compositions containing them and methods of treating bacterial infections with them SMITHKLINE CORPORATION (US) 1979-10-16 — — US disclosed
US-4171362-A 7-Acylamino-3-(sulfaminoalkyl substituted tetrazolylthiomethyl)cephalosporins antibacterial compositions containing them and methods of treating bacterial infections with them SMITHKLINE CORPORATION (US) 1979-10-16 — — US disclosed
US-4171433-A 7-Amino-3-(sulfaminoalkyl substituted tetrazolylthiomethyl)cephalosporin intermediates for preparing 7-acylamino cephalosporins SMITHKLINE CORPORATION (US) 1979-10-16 — — US disclosed
US-4066761-A ANTIBACTERIAL SMITHKLINE CORPORATION (US) 1978-01-03 — — US disclosed
US-4064242-A ANTIBACTERIAL AGENTS SMITHKLINE CORPORATION (US) 1977-12-20 — — US disclosed
US-4060610-A Pharmaceutical compositions comprising 7-acyl-3-(substituted triazolyl thiomethyl)-cephalosporins and methods of treating bacterial infections SMITHKLINE CORPORATION (US) 1977-11-29 — — US disclosed
US-4059591-A Ureidoalkyl substituted tetrazole thiol intermediates for preparing cephalosporins SMITHKLINE CORPORATION (US) 1977-11-22 — — US disclosed
US-4048311-A ANTIBACTERIAL SMITHKLINE CORPORATION (US) 1977-09-13 — — US disclosed
US-4041162-A ANTIBIOTICS, BACTERICIDES SMITHKLINE CORPORATION (US) 1977-08-09 — — US disclosed
US-4034092-A ANTIBACTERIAL SMITHKLINE CORPORATION (US) 1977-07-05 — — US disclosed
US-4025626-A ANTIBACTERIAL SMITHKLINE CORPORATION (US) 1977-05-24 — — US disclosed
US-3989694-A ANTIBACTERIAL SMITHKLINE CORPORATION (US) 1976-11-02 — — US disclosed
US-3968226-A 3-Heterocyclic thiomethylcephalosporins as antibacterial agents SMITHKLINE CORPORATION (US) 1976-07-06 — — 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 (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-20210277023-A1 ANTIBIOTIC CONJUGATES DDOST, STT3B, DAD1 PTGS1 2451/4885L3MBTL1 2502/4885TDP1 4479/4885

“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.

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