SCHEMBL3822643

SCHEMBL3822643

Cc1c(Br)cc(Cl)c(N)c1F

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 3/20 0.37
CA2 P00918 3/20 0.37
CA9 Q16790 3/20 0.37
ALDH1A1 P00352 3/20 0.36
CYP3A4 P08684 2/20 0.36
KDM1A O60341 2/20 0.33
KDM1B Q8NB78 2/20 0.33
CD44 P16070 1/20 0.32
GAA P10253 2/20 0.31
MAPT P10636 2/20 0.31
POLB P06746 1/20 0.31
APEX1 P27695 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
GRIN2D O15399 1/20 0.30
GRIN3B O60391 1/20 0.30
GRIN1 Q05586 1/20 0.30
GRIN2A Q12879 1/20 0.30
GRIN2B Q13224 1/20 0.30
GRIN2C Q14957 1/20 0.30

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
SCHEMBL22489491 0.83 CA1 (0.37) CA1CA2CA9ALDH1A1CYP3A4
SCHEMBL3730086 0.80 CA1 (0.41) CA1CA2CA9KDM1AKDM1B
SCHEMBL17649240 0.80 CA1 (0.41) CA1CA2CA9ALDH1A1CYP3A4
SCHEMBL19995794 0.79 CA1 (0.37) CA1CA2CA9ALDH1A1CYP3A4
SCHEMBL8125133 0.78 CA1 (0.39) CA1CA2CA9ALDH1A1CYP3A4
SCHEMBL24161857 0.76 KDM1A (0.32) KDM1AKDM1B
SCHEMBL30949547 0.75 CA1 (0.37) CA1CA2CA9GAAMAPT
SCHEMBL29979185 0.75 HSD17B10 (0.37) ALDH1A1CYP3A4KDM1AKDM1BMAPT
SCHEMBL31026375 0.71 TSHR (0.31) CA1CA2KDM1AKDM1B
SCHEMBL30443659 0.71 CA1 (0.45) CA1CA2CA9ALDH1A1CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1567477-B1 SUBSTITUTED AMINO PHENYLACETIC ACIDS, DERIVATIVES THEREOF, THEIR PREPARATION AND THEIR USE AS CYCLOOXYGENASE 2 (COX-2) INHIBITORS NOVARTIS AG (CH) 2009-09-09 EP disclosed
EP-2090566-A2 Certain phenylacetic acids and derivatives Novartis AG (CH) 2009-08-19 EP disclosed
US-7202364-B2 Certain phenylacetic acids and derivatives NOVARTIS, AG (CH) 2007-04-10 US disclosed
CN-1729157-A Substituted amino phenylacetic acids, derivatives thereof, their preparation and their use as cyclooxygenase 2 (COX-2) inhibitors NOVARTIS AG (CH) 2006-02-01 CN disclosed
EP-1567477-A1 SUBSTITUTED AMINO PHENYLACETIC ACIDS, DERIVATIVES THEREOF, THEIR PREPARATION AND THEIR USE AS CYCLOOXYGENASE 2 (COX-2) INHIBITORS Novartis AG (CH) 2005-08-31 EP disclosed
US-20040132769-A1 Certain phenylacetic acids and derivatives NOVARTIS AG (CH) 2004-07-08 US disclosed
WO-2004048314-A1 SUBSTITUTED AMINO PHENYLACETIC ACIDS, DERIVATIVES THEREOF, THEIR PREPARATION AND THEIR USE AS CYCLOOXYGENASE 2 (COX-2) INHIBITORS NOVARTIS AG (CH) 2004-06-10 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-20040132769-A1 Certain phenylacetic acids and derivatives CYP2A6, HCAR2, CYP2B6 CA1 918/4885CA2 216/4885CA9 579/4885

“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.