SCHEMBL5178293

SCHEMBL5178293

O=[P](O)OCc1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.48
ALDH1A1 P00352 4/20 0.47
SLC6A2 P23975 2/20 0.45
SLC6A3 Q01959 2/20 0.45
KMT2A Q03164 2/20 0.45
TDP1 Q9NUW8 2/20 0.45
MAPK1 P28482 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
IDO1 P14902 1/20 0.44
AGXT P21549 1/20 0.43
LMNA P02545 2/20 0.42
CA1 P00915 2/20 0.42
CA2 P00918 2/20 0.42
CA9 Q16790 2/20 0.42
CYP1A2 P05177 1/20 0.42
PTGS1 P23219 1/20 0.42
CYP2C19 P33261 1/20 0.42
PTGS2 P35354 1/20 0.42
HIF1A Q16665 1/20 0.42
HDAC6 Q9UBN7 1/20 0.42

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
SCHEMBL27533184 0.81 TSHR (0.52) TSHRALDH1A1SLC6A2SLC6A3KMT2A
SCHEMBL2128784 0.81 TSHR (0.52) TSHRALDH1A1SLC6A2SLC6A3KMT2A
SCHEMBL2001980 0.81 TSHR (0.52) TSHRALDH1A1SLC6A2SLC6A3KMT2A
SCHEMBL51153 0.81 TSHR (0.52) TSHRALDH1A1SLC6A2SLC6A3KMT2A
Hydrochloric Acid SCHEMBL27474797 0.79 TSHR (0.50) TSHRALDH1A1SLC6A2SLC6A3KMT2A
SCHEMBL15021274 0.79 TSHR (0.50) TSHRALDH1A1SLC6A2SLC6A3KMT2A
SCHEMBL28006880 0.79 TSHR (0.50) TSHRALDH1A1SLC6A2SLC6A3KMT2A
SCHEMBL11444625 0.79 TSHR (0.50) TSHRALDH1A1SLC6A2SLC6A3KMT2A
SCHEMBL11444701 0.79 TSHR (0.50) TSHRALDH1A1SLC6A2SLC6A3KMT2A
SCHEMBL10701795 0.78 TDP1 (0.47) TSHRALDH1A1SLC6A3TDP1MAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3856747-B1 SUBSTITUTED PYRIDOINDOLES FOR THE TREATMENT AND PROPHYLAXIS OF BACTERIAL INFECTION HOFFMANN LA ROCHE (CH) 2023-07-19 EP claimed
EP-3856747-A1 SUBSTITUTED PYRIDOINDOLES FOR THE TREATMENT AND PROPHYLAXIS OF BACTERIAL INFECTION F. Hoffmann-La Roche AG (CH) 2021-08-04 EP claimed
US-20210221832-A1 SUBSTITUTED PYRIDOINDOLES FOR THE TREATMENT AND PROPHYLAXIS OF BACTERIAL INFECTION HOFFMANN-LA ROCHE INC. (US) 2021-07-22 US claimed
WO-2020064661-A1 SUBSTITUTED PYRIDOINDOLES FOR THE TREATMENT AND PROPHYLAXIS OF BACTERIAL INFECTION F. HOFFMANN-LA ROCHE AG (CH) 2020-04-02 WO claimed
EP-0335297-B1 Cephalosporin derivatives HOFFMANN LA ROCHE (CH) 1996-03-13 EP claimed
US-5336768-A Bactericides HOFFMANN-LA ROCHE INC. (US) 1994-08-09 US claimed
US-5329002-A Piperazinium protected carboxylic acid antibiotics HOFFMANN-LA ROCHE INC. (US) 1994-07-12 US claimed
EP-0251330-B1 Cephalosporin derivatives, process for their preparation and pharmaceutical compositions containing them HOFFMANN LA ROCHE (CH) 1993-12-01 EP claimed
US-5189157-A ANTIBACTERIAL CEPHALOSPORIN COMPOUNDS HOFFMANN LA ROCHE INC. (US) 1993-02-23 US claimed
EP-0243924-B1 2-OXO-1-(SUBSTITUTED PHOSPHOROUS)AZETIDINES E.R. Squibb & Sons, Inc. (US) 1992-12-23 EP claimed
EP-0295630-A2 Cephalosporin derivatives F. HOFFMANN-LA ROCHE AG (CH) 1988-12-21 EP claimed
US-4775670-A BACTERICIDES, ANTIBIOTICS E. R. SQUIBB & SONS, INC. (US) 1988-10-04 US claimed
EP-0048953-B1 BETA-LACTAM ANTIBIOTICS E.R. Squibb & Sons, Inc. (US) 1988-03-09 EP claimed
EP-0251330-A2 Cephalosporin derivatives, process for their preparation and pharmaceutical compositions containing them F. HOFFMANN-LA ROCHE AG (CH) 1988-01-07 EP claimed
EP-0206000-A1 (2,3)-Alpha-methylenepenam-3-carboxylic acids and derivatives thereof F. HOFFMANN-LA ROCHE AG (CH) 1986-12-30 EP claimed
EP-0187355-A1 Process for preparing beta-lactam antibiotics E.R. Squibb & Sons, Inc. (US) 1986-07-16 EP claimed
US-4533660-A Antibacterial O-sulfated β-lactam hydroxamic acids E. R. SQUIBB & SONS, INC. (US) 1985-08-06 US claimed
EP-0051381-B1 O-SULFATED BETA-LACTAM HYDROXAMIC ACIDS E.R. Squibb & Sons, Inc. (US) 1985-01-30 EP claimed
EP-0051381-A1 O-sulfated beta-lactam hydroxamic acids E.R. Squibb & Sons, Inc. (US) 1982-05-12 EP claimed
EP-0048953-A2 Beta-lactam antibiotics E.R. Squibb & Sons, Inc. (US) 1982-04-07 EP claimed

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-20210221832-A1 SUBSTITUTED PYRIDOINDOLES FOR THE TREATMENT AND PROPHYLAXIS OF BACTERIAL INFECTION BLVRB, PNPO, IL17A TSHR 1984/4885ALDH1A1 1121/4885SLC6A2 1936/4885

“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.