SCHEMBL907129

SCHEMBL907129

CCSc1cccc(C(=O)CC)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
APEX1 P27695 1/20 0.49
EPHX2 P34913 1/20 0.48
PTGS2 P35354 1/20 0.46
MAP1LC3B Q9GZQ8 1/20 0.43
MAP1LC3A Q9H492 1/20 0.43
SIRT2 Q8IXJ6 1/20 0.43
HPGD P15428 2/20 0.43
CYP1A2 P05177 1/20 0.43
CYP2C9 P11712 1/20 0.43
HSD17B10 Q99714 1/20 0.43
SMN1; SMN2 Q16637 3/20 0.42
MAPT P10636 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
MEN1 O00255 3/20 0.41
KMT2A Q03164 3/20 0.41
ATM Q13315 1/20 0.40
RAB9A P51151 3/20 0.39
NPC1 O15118 3/20 0.39
FFAR4 Q5NUL3 1/20 0.39
GAA P10253 1/20 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
SCHEMBL11555321 0.84 APEX1 (0.47) APEX1EPHX2PTGS2MAP1LC3BMAP1LC3A
SCHEMBL2202083 0.84 APEX1 (0.50) APEX1EPHX2PTGS2MAP1LC3BMAP1LC3A
SCHEMBL1991282 0.84 APEX1 (0.69) APEX1EPHX2PTGS2MAP1LC3BMAP1LC3A
SCHEMBL19014549 0.84 MEN1 (0.58) APEX1HPGDCYP1A2CYP2C9HSD17B10
SCHEMBL8175041 0.82 APEX1 (0.49) APEX1EPHX2PTGS2MAP1LC3BMAP1LC3A
SCHEMBL7696215 0.82 EPHX2 (0.55) APEX1EPHX2PTGS2MAP1LC3BMAP1LC3A
SCHEMBL11436094 0.81 THRB (0.49) APEX1PTGS2MAP1LC3BMAP1LC3A
SCHEMBL16956435 0.81 APEX1 (0.46) APEX1EPHX2PTGS2MAP1LC3BMAP1LC3A
SCHEMBL28425375 0.81 L3MBTL1 (0.57) APEX1PTGS2HPGDCYP1A2CYP2C9
SCHEMBL10389972 0.80 SMN1; SMN2 (0.54) HPGDHSD17B10SMN1; SMN2MAPTL3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2133099-B1 Conjugated biological molecules and their preparation POLYTHERICS LTD (GB) 2017-04-19 EP disclosed
US-9439974-B2 Conjugated biological molecules and their preparation POLYTHERICS LIMITED (GB) 2016-09-13 US disclosed
EP-2253330-B1 Conjugated biological molecules and their preparation POLYTHERICS LTD (GB) 2015-08-19 EP disclosed
EP-2277550-B1 Process for the preparation of conjugated biological molecules. POLYTHERICS LTD (GB) 2015-04-29 EP disclosed
US-20140369960-A1 CONJUGATED BIOLOGICAL MOLECULES AND THEIR PREPARATION ABZENA (CAMBRIDGE) LIMITED (GB) 2014-12-18 US disclosed
US-8816051-B2 Conjugated biological molecules and their preparation POLYTHERICS LIMITED (GB) 2014-08-26 US disclosed
US-20110182855-A1 CONJUGATED BIOLOGICAL MOLECULES AND THEIR PREPARATION POLYTHERICS LIMITED (GB) 2011-07-28 US disclosed
US-7939630-B2 Conjugated biological molecules and their preparation POLYTHERICS LIMITED (GB) 2011-05-10 US disclosed
EP-2277550-A1 Conjugated biological molecules and their preparation Polytherics Limited (GB) 2011-01-26 EP disclosed
EP-2253330-A2 Conjugated biological molecules and their preparation Polytherics Limited (GB) 2010-11-24 EP disclosed
EP-2133099-A2 Conjugated biological molecules and their preparation Polytherics Limited (GB) 2009-12-16 EP disclosed
US-20090298154-A1 Conjugated biological molecules and their preparation POLYTHERICS LIMITED (GB) 2009-12-03 US disclosed
US-7595292-B2 Conjugated biological molecules and their preparation POLYTHERICS LIMITED (GB) 2009-09-29 US disclosed
EP-1648518-B1 CONJUGATED BIOLOGICAL MOLECULES AND THEIR PREPARATION POLYTHERICS LTD (GB) 2009-08-26 EP disclosed
US-20060210526-A1 polyoxyethylene glycol-protein conjugate linked via linking group ABZENA (CAMBRIDGE) LIMITED (GB) 2006-09-21 US disclosed
EP-1648518-A2 CONJUGATED BIOLOGICAL MOLECULES AND THEIR PREPARATION Polytherics Limited (GB) 2006-04-26 EP disclosed
WO-2005007197-A2 CONJUGATED BIOLOGICAL MOLECULES AND THEIR PREPARATION POLYTHERICS LIMITED (GB) 2005-01-27 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 (4 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-20140369960-A1 CONJUGATED BIOLOGICAL MOLECULES AND THEIR PREPARATION F13B, F13A1, ZYX APEX1 278/4885EPHX2 878/4885PTGS2 1912/4885
US-20110182855-A1 CONJUGATED BIOLOGICAL MOLECULES AND THEIR PREPARATION F13B, ZYX, F13A1 APEX1 117/4885EPHX2 929/4885PTGS2 1832/4885
US-20090298154-A1 Conjugated biological molecules and their preparation F13B, ZYX, F13A1 APEX1 117/4885EPHX2 929/4885PTGS2 1832/4885
US-20060210526-A1 polyoxyethylene glycol-protein conjugate linked via linking group F13A1, F13B, SSB APEX1 316/4885EPHX2 873/4885PTGS2 3034/4885

“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.