SCHEMBL3898543

SCHEMBL3898543

CC1=C(C(=O)O)C(c2cccc(F)c2F)CC(=O)N1

nearest known ligand 0.67

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
TP53 P04637 4/20 0.67
SMN1; SMN2 Q16637 1/20 0.51
TSHR P16473 1/20 0.49
GPBAR1 Q8TDU6 1/20 0.48
PKM P14618 1/20 0.48
ALOX15 P16050 1/20 0.46
MAPT P10636 1/20 0.45

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
SCHEMBL3895671 0.86 TP53 (0.72) TP53SMN1; SMN2TSHRGPBAR1PKM
SCHEMBL4322189 0.82 TP53 (0.69) TP53SMN1; SMN2TSHRGPBAR1PKM
SCHEMBL3883649 0.80 GPBAR1 (0.69) TP53SMN1; SMN2TSHRGPBAR1ALOX15
SCHEMBL3886598 0.78 TP53 (0.53) TP53SMN1; SMN2TSHRGPBAR1PKM
SCHEMBL6953639 0.77 GAA (0.45) TP53SMN1; SMN2TSHRMAPT
SCHEMBL3342133 0.75 LMNA (0.58) TP53GPBAR1PKM
SCHEMBL17782167 0.75 TP53 (0.56) TP53TSHRGPBAR1PKMALOX15
SCHEMBL7928701 0.75 ADRA1A (0.52) TP53GPBAR1
SCHEMBL5661329 0.75 ADRA1A (0.52) TP53GPBAR1
SCHEMBL8004288 0.75 ADRA1A (0.52) TP53GPBAR1

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-7592357-B2 Compounds SMITHKLINE BEECHAM CORPORATION (US) 2009-09-22 US disclosed
EP-1718638-A4 NOVEL COMPOUNDS SMITHKLINE BEECHAM CORP (US) 2009-04-22 EP disclosed
US-20080058384-A1 Novel Compounds GLAXOSMITHKLINE LLC 2008-03-06 US disclosed
EP-1718638-A1 NOVEL COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 2006-11-08 EP disclosed
WO-2005082890-A1 NOVEL COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 2005-09-09 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-20080058384-A1 Novel Compounds ARHGDIB, TNK2, ROCK2 TP53 3036/4885SMN1; SMN2 3861/4885TSHR 4509/4885

“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.