SCHEMBL3581941

SCHEMBL3581941

CC(F)(C(=O)O)c1cccc(N)c1

nearest known ligand 0.55

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.55
MAPK1 P28482 1/20 0.55
PTGS1 P23219 5/20 0.43
PBRM1 Q86U86 1/20 0.42
ACHE P22303 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP2C19 P33261 1/20 0.41
MAPT P10636 1/20 0.40
KMT2A Q03164 1/20 0.40
ALDH1A1 P00352 1/20 0.40
NPSR1 Q6W5P4 1/20 0.39
CYP3A4 P08684 1/20 0.38
CASP1 P29466 1/20 0.38
RECQL P46063 1/20 0.38
DDX3X O00571 1/20 0.38
CES2 O00748 1/20 0.38
GRM2 Q14416 2/20 0.38
GRM3 Q14832 2/20 0.38

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
Carbamic Acid SCHEMBL28180642 0.82 TSHR (0.55) TSHRMAPK1PTGS1PBRM1ACHE
SCHEMBL30707942 0.81 TSHR (0.59) TSHRMAPK1PTGS1PBRM1ALDH1A1
SCHEMBL27176562 0.81 TSHR (0.59) TSHRMAPK1PTGS1PBRM1ALDH1A1
SCHEMBL3574723 0.81 TSHR (0.50) TSHRMAPK1PTGS1ACHEMAPT
Hydrochloric Acid SCHEMBL6825713 0.80 TSHR (0.47) TSHRMAPK1PTGS1PBRM1CYP1A2
Trifluoroacetic Acid SCHEMBL6072044 0.80 TSHR (0.74) TSHRMAPK1PTGS1MAPTKMT2A
SCHEMBL31560818 0.80 KCNN4 (0.53) ACHECYP1A2CYP2C19CES2
SCHEMBL31560802 0.80 PTPN5 (0.45) ACHECYP2C19KMT2ACYP3A4
SCHEMBL6758357 0.80 TSHR (0.47) TSHRMAPK1PTGS1PBRM1CYP1A2
SCHEMBL31560780 0.79 PKM (0.44) ACHECYP1A2CYP2C19MAPTKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8440711-B2 2-aryl-2-fluoropropanoic acids and derivatives and pharmaceutical compositions containing them DOMPE PHA.R.MA S.P.A. (IT) 2013-05-14 US disclosed
EP-2094638-B1 2-ARYL-2-FLUOROPROPANOIC ACIDS AND DERIVATIVES AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM DOMPE SPA (IT) 2012-08-08 EP disclosed
US-20100076034-A1 2-ARYL-2-FLUOROPROPANOIC ACIDS AND DERIVATIVES AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM DOMPE PHA.R.MA S.P.A. (IT) 2010-03-25 US disclosed
EP-2094638-A2 2-ARYL-2-FLUOROPROPANOIC ACIDS AND DERIVATIVES AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM DOMPE' pha.r.ma s.p.a. (IT) 2009-09-02 EP disclosed
WO-2008075184-A2 2-ARYL-2-FLUOROPROPANOIC ACIDS AND DERIVATIVES AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM DOMPE' PHA.R.MA S.P.A. (IT) 2008-06-26 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-20100076034-A1 2-ARYL-2-FLUOROPROPANOIC ACIDS AND DERIVATIVES AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM FPR2, FPR3, FPR1 TSHR 2938/4885MAPK1 2784/4885PTGS1 707/4885

“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.