SCHEMBL309614

SCHEMBL309614

O=[N+]([O-])c1c(F)cc(CO)cc1F

nearest known ligand 0.52

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.38
ALDH1A1 P00352 4/20 0.37
KDM4E B2RXH2 1/20 0.37
ATM Q13315 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
ACHE P22303 1/20 0.34
HIF1A Q16665 1/20 0.34
GRIN2D O15399 4/20 0.33
GRIN3B O60391 4/20 0.33
GRIN1 Q05586 4/20 0.33
GRIN2A Q12879 4/20 0.33
GRIN2B Q13224 4/20 0.33
GRIN2C Q14957 4/20 0.33
GRIN3A Q8TCU5 4/20 0.33
CYP4F2 P78329 2/20 0.33
CYP4A11 Q02928 2/20 0.33
MAPT P10636 1/20 0.33
VCAM1 P19320 1/20 0.32
POLB P06746 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
SCHEMBL1151404 0.86 TSHR (0.50) TSHRALDH1A1KDM4EATMTDP1
SCHEMBL2036985 0.83 TTR (0.45) TSHRALDH1A1KDM4ETDP1GRIN2D
SCHEMBL27163032 0.83 MAPT (0.38) ALDH1A1TDP1GRIN2DGRIN3BGRIN1
SCHEMBL3653489 0.82 HTT (0.33) TSHRALDH1A1TDP1GRIN2DGRIN3B
SCHEMBL3650227 0.81 MAPT (0.36) ALDH1A1KDM4ETDP1GRIN2DGRIN3B
SCHEMBL309792 0.79 TDP1 (0.35) TSHRALDH1A1KDM4EATMTDP1
SCHEMBL12693888 0.79 POLB (0.38) TSHRALDH1A1KDM4EATMTDP1
SCHEMBL1151055 0.79 CYP1A2 (0.40) TSHRKDM4ETDP1HIF1AMAPT
SCHEMBL24207654 0.78 ATM (0.34) TSHRALDH1A1ATMTDP1HIF1A
SCHEMBL31650905 0.78 ATM (0.34) TSHRALDH1A1ATMTDP1HIF1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240262842-A1 SMALL MOLECULE INHIBITORS OF KRAS G12C MUTANT MERCK SHARP & DOHME LLC 2024-08-08 US disclosed
CN-111166744-B Use of 4- (benzothiazol-2-yl) arylamine compound for treating gastric cancer 诺丁汉大学 2024-06-25 CN disclosed
EP-4329749-A1 SMALL MOLECULE INHIBITORS OF KRAS G12C MUTANT Merck Sharp & Dohme LLC (US) 2024-03-06 EP disclosed
WO-2022232318-A1 SMALL MOLECULE INHIBITORS OF KRAS G12C MUTANT MERCK SHARP & DOHME CORP. (US) 2022-11-03 WO disclosed
US-8093406-B2 Cyclic sulfones with aminobenzyl substitution useful as BACE inhibitors NOVARTIS AG (CH) 2012-01-10 US disclosed
EP-2303857-A1 CYCLIC SULFONES WITH AMINOBENZYL SUBSTITUTION USEFUL AS BACE INHIBITORS Novartis AG (CH) 2011-04-06 EP disclosed
EP-2190833-A1 AMINOBENZYL-SUBSTITUTED CYCLIC SULFONES USEFUL AS BACE INHIBITORS Novartis Ag (CH) 2010-06-02 EP disclosed
US-20100056490-A1 Cyclic sulfones with aminobenzyl substitution useful as BACE inhibitors NOVARTIS AG (CH) 2010-03-04 US disclosed
WO-2010003976-A1 CYCLIC SULFONES WITH AMINOBENZYL SUBSTITUTION USEFUL AS BACE INHIBITORS NOVARTIS AG (CH) 2010-01-14 WO disclosed
WO-2009024615-A1 AMINOBENZYL-SUBSTITUTED CYCLIC SULFONES USEFUL AS BACE INHIBITORS NOVARTIS AG (CH) 2009-02-26 WO disclosed
US-20090054427-A1 AMINOBENZYL-SUBSTITUTED CYCLIC SULFONES USEFUL AS BACE INHIBITORS BRIARD EMMANUELLE 2009-02-26 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 (3 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-20090054427-A1 AMINOBENZYL-SUBSTITUTED CYCLIC SULFONES USEFUL AS BACE INHIBITORS BACE2, BACE1, APP TSHR 4858/4885ALDH1A1 2720/4885KDM4E 1305/4885
US-20240262842-A1 SMALL MOLECULE INHIBITORS OF KRAS G12C MUTANT KRAS, NRAS, HRAS TSHR 4548/4885ALDH1A1 1875/4885KDM4E 3441/4885
US-20100056490-A1 Cyclic sulfones with aminobenzyl substitution useful as BACE inhibitors BACE2, BACE1, APP TSHR 4855/4885ALDH1A1 2566/4885KDM4E 1167/4885

“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.