SCHEMBL2202083

SCHEMBL2202083

CCSc1cccc(C(C)=O)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
APEX1 P27695 1/20 0.50
PTGS2 P35354 1/20 0.47
EPHX2 P34913 1/20 0.46
KMT2A Q03164 4/20 0.45
MEN1 O00255 3/20 0.45
RAB9A P51151 2/20 0.45
NPC1 O15118 1/20 0.45
BACE1 P56817 1/20 0.45
NOD2 Q9HC29 1/20 0.45
BACE2 Q9Y5Z0 1/20 0.45
MAP1LC3B Q9GZQ8 1/20 0.44
MAP1LC3A Q9H492 1/20 0.44
SIRT2 Q8IXJ6 1/20 0.44
HPGD P15428 4/20 0.44
CYP1A2 P05177 1/20 0.44
CYP2C9 P11712 1/20 0.44
HSD17B10 Q99714 1/20 0.44
ALDH1A1 P00352 4/20 0.43
MAOB P27338 2/20 0.41
TDP1 Q9NUW8 1/20 0.41

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
SCHEMBL16956435 0.86 APEX1 (0.46) APEX1PTGS2EPHX2KMT2AMEN1
SCHEMBL1991282 0.85 APEX1 (0.69) APEX1PTGS2EPHX2KMT2AMEN1
SCHEMBL7696215 0.84 EPHX2 (0.55) APEX1PTGS2EPHX2KMT2AMEN1
SCHEMBL10033094 0.84 APEX1 (0.49) APEX1KMT2AMEN1HPGDCYP1A2
SCHEMBL8175041 0.84 APEX1 (0.49) APEX1PTGS2EPHX2KMT2AMEN1
SCHEMBL907129 0.84 APEX1 (0.49) APEX1PTGS2EPHX2KMT2AMEN1
SCHEMBL11555321 0.82 APEX1 (0.47) APEX1PTGS2EPHX2RAB9ANPC1
SCHEMBL28425375 0.82 L3MBTL1 (0.57) APEX1PTGS2HPGDCYP1A2CYP2C9
SCHEMBL10294650 0.81 HDAC8 (0.54) APEX1PTGS2EPHX2RAB9AMAP1LC3B
SCHEMBL27957709 0.80 ALDH1A1 (0.59) APEX1KMT2AMEN1RAB9ANPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2116530-B1 NOVEL PYRROLE DERIVATIVE HAVING UREIDE GROUP AND AMINOCARBONYL GROUP AS SUBSTITUENTS SANTEN PHARMACEUTICAL CO LTD (JP) 2012-11-14 EP disclosed
EP-2116530-B1 NOVEL PYRROLE DERIVATIVE HAVING UREIDE GROUP AND AMINOCARBONYL GROUP AS SUBSTITUENTS SANTEN PHARMACEUTICAL CO LTD (JP) 2012-11-14 EP disclosed
US-7977371-B2 Pyrrole derivative having ureido group and aminocarbonyl group as substituents SANTEN PHARMACEUTICAL CO., LTD. (JP) 2011-07-12 US disclosed
US-7977371-B2 Pyrrole derivative having ureido group and aminocarbonyl group as substituents SANTEN PHARMACEUTICAL CO., LTD. (JP) 2011-07-12 US disclosed
US-7977371-B2 Pyrrole derivative having ureido group and aminocarbonyl group as substituents SANTEN PHARMACEUTICAL CO., LTD. (JP) 2011-07-12 US disclosed
US-20100099675-A1 NOVEL PYRROLE DERIVATIVE HAVING UREIDO GROUP AND AMINOCARBONYL GROUP AS SUBSTITUENTS SANTEN PHARMACEUTICAL CO., LTD. (JP) 2010-04-22 US disclosed
US-20100099675-A1 NOVEL PYRROLE DERIVATIVE HAVING UREIDO GROUP AND AMINOCARBONYL GROUP AS SUBSTITUENTS SANTEN PHARMACEUTICAL CO., LTD. (JP) 2010-04-22 US disclosed
US-20100099675-A1 NOVEL PYRROLE DERIVATIVE HAVING UREIDO GROUP AND AMINOCARBONYL GROUP AS SUBSTITUENTS SANTEN PHARMACEUTICAL CO., LTD. (JP) 2010-04-22 US disclosed
EP-2116530-A1 NOVEL PYRROLE DERIVATIVE HAVING UREIDE GROUP AND AMINOCARBONYL GROUP AS SUBSTITUENTS Santen Pharmaceutical Co., Ltd (JP) 2009-11-11 EP disclosed
EP-2116530-A1 NOVEL PYRROLE DERIVATIVE HAVING UREIDE GROUP AND AMINOCARBONYL GROUP AS SUBSTITUENTS Santen Pharmaceutical Co., Ltd (JP) 2009-11-11 EP 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-20100099675-A1 NOVEL PYRROLE DERIVATIVE HAVING UREIDO GROUP AND AMINOCARBONYL GROUP AS SUBSTITUENTS UACA, IL6, IL6ST APEX1 1760/4885PTGS2 168/4885EPHX2 2409/4885

“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.