SCHEMBL3070544

SCHEMBL3070544

O=C=Nc1ccc(OCCC=O)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 2/20 0.50
TSHR P16473 1/20 0.50
CYP1A2 P05177 2/20 0.38
FURIN P09958 1/20 0.37
MAPK1 P28482 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
CYP2C9 P11712 2/20 0.35
CYP19A1 P11511 1/20 0.35
CYP2C19 P33261 1/20 0.35
ALDH1A1 P00352 3/20 0.33
LMNA P02545 2/20 0.33
MAPT P10636 1/20 0.33
HPGD P15428 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
TRPA1 O75762 1/20 0.33
L3MBTL1 Q9Y468 2/20 0.33
MMP2 P08253 1/20 0.32
MMP3 P08254 1/20 0.32
GAA P10253 2/20 0.31
PPARA Q07869 1/20 0.31

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
SCHEMBL10341829 0.87 CYP3A4 (0.54) CYP3A4TSHRCYP1A2FURINMAPK1
SCHEMBL1493053 0.85 CYP3A4 (0.52) CYP3A4TSHRCYP1A2FURINMAPK1
SCHEMBL10341873 0.85 CYP3A4 (0.52) CYP3A4TSHRCYP1A2FURINMAPK1
SCHEMBL10703892 0.83 TSHR (0.50) CYP3A4TSHRFURINL3MBTL1GAA
SCHEMBL7602206 0.83 TSHR (0.50) CYP3A4TSHRFURINL3MBTL1GAA
SCHEMBL1356143 0.81 CYP3A4 (0.48) CYP3A4TSHRCYP1A2FURINMAPK1
SCHEMBL13264902 0.81 TSHR (0.48) CYP3A4TSHRFURINMAPK1TDP1
SCHEMBL27683603 0.81 CYP3A4 (0.42) CYP3A4TSHRCYP1A2FURINMAPK1
SCHEMBL5404636 0.81 ALDH1A1 (0.54) CYP3A4TSHRCYP1A2FURINMAPK1
SCHEMBL414168 0.80 CYP1A2 (0.50) CYP3A4TSHRCYP1A2CYP2C9CYP19A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7772183-B2 Hepatitis C virus inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2010-08-10 US disclosed
EP-1945641-A1 HEPATITIS C VIRUS INHIBITORS Brystol-Myers Squibb Company (US) 2008-07-23 EP disclosed
US-20070093414-A1 Hepatitis C virus inhibitors BRISTOL-MYERS SQUIBB COMPANY 2007-04-26 US disclosed
WO-2007044933-A1 HEPATITIS C VIRUS INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2007-04-19 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-20070093414-A1 Hepatitis C virus inhibitors HAVCR2, HCCS, PYGL CYP3A4 379/4885TSHR 4631/4885CYP1A2 436/4885

“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.