SCHEMBL257356

SCHEMBL257356

COCc1cc(Br)ccc1C(=O)OC

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR4A2 P43354 1/20 0.48
ALDH1A1 P00352 6/20 0.47
GAA P10253 3/20 0.47
CA12 O43570 2/20 0.46
CA1 P00915 2/20 0.46
CA2 P00918 2/20 0.46
CA7 P43166 2/20 0.46
CA9 Q16790 2/20 0.46
CA14 Q9ULX7 2/20 0.46
PDK2 Q15119 1/20 0.46
PDK4 Q16654 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.44
SLC6A3 Q01959 1/20 0.43
HPGD P15428 4/20 0.42
ABCG2 Q9UNQ0 1/20 0.41
HSD17B10 Q99714 2/20 0.41
LMNA P02545 1/20 0.41
KDM4E B2RXH2 4/20 0.40
MAPT P10636 2/20 0.40
GLA P06280 1/20 0.40

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
SCHEMBL3712715 0.86 NR4A2 (0.50) NR4A2ALDH1A1GAACA12CA1
SCHEMBL275285 0.85 NR4A2 (0.49) NR4A2ALDH1A1GAACA12CA1
SCHEMBL5127002 0.85 KDM4E (0.44) ALDH1A1L3MBTL1HPGDHSD17B10KDM4E
SCHEMBL16304136 0.85 NR4A2 (0.49) NR4A2ALDH1A1GAACA12CA1
SCHEMBL15197075 0.85 MAOA (0.47) ALDH1A1HPGDHSD17B10KDM4EMAPT
SCHEMBL30752924 0.85 NR4A2 (0.49) NR4A2ALDH1A1GAACA12CA1
SCHEMBL15090678 0.84 EGFR (0.40) NR4A2ALDH1A1GAAHPGDKDM4E
SCHEMBL15100966 0.84 HPGD (0.47) NR4A2ALDH1A1GAACA12CA1
SCHEMBL27769962 0.83 NR4A2 (0.48) NR4A2ALDH1A1GAACA12CA1
SCHEMBL8170241 0.83 NR4A2 (0.43) NR4A2ALDH1A1GAACA12CA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2822956-A1 MANNOSE DERIVATIVES FOR TREATING BACTERIAL INFECTIONS Vertex Pharmaceuticals Incorporated (US) 2015-01-14 EP disclosed
US-8895552-B2 Cyclic amide derivative SUMITOMO DAINIPPON PHARMA CO., LTD. (JP) 2014-11-25 US disclosed
US-8895552-B2 Cyclic amide derivative SUMITOMO DAINIPPON PHARMA CO., LTD. (JP) 2014-11-25 US disclosed
US-20130261077-A1 MANNOSE DERIVATIVES FOR TREATING BACTERIAL INFECTIONS VERTEX PHARMACEUTICALS INCORPORATED (US) 2013-10-03 US disclosed
US-20130261077-A1 MANNOSE DERIVATIVES FOR TREATING BACTERIAL INFECTIONS VERTEX PHARMACEUTICALS INCORPORATED (US) 2013-10-03 US disclosed
US-20130261077-A1 MANNOSE DERIVATIVES FOR TREATING BACTERIAL INFECTIONS VERTEX PHARMACEUTICALS INCORPORATED (US) 2013-10-03 US disclosed
WO-2013134415-A1 MANNOSE DERIVATIVES FOR TREATING BACTERIAL INFECTIONS VERTEX PHARMACEUTICALS INCORPORATED (US) 2013-09-12 WO disclosed
US-20130217692-A1 CYCLIC AMIDE DERIVATIVE DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2013-08-22 US disclosed
US-20130217692-A1 CYCLIC AMIDE DERIVATIVE DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2013-08-22 US disclosed
EP-2612848-A1 CYCLIC AMIDE DERIVATIVE Dainippon Sumitomo Pharma Co., Ltd. (JP) 2013-07-10 EP disclosed
EP-2612848-A1 CYCLIC AMIDE DERIVATIVE Dainippon Sumitomo Pharma Co., Ltd. (JP) 2013-07-10 EP disclosed
CN-103168028-A Cyclic amide derivative DAINIPPON SUMITOMO PHARMA CO 2013-06-19 CN disclosed
WO-2012029942-A1 CYCLIC AMIDE DERIVATIVE 大日本住友製薬株式会社 (JP) 2012-03-08 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 (2 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-20130261077-A1 MANNOSE DERIVATIVES FOR TREATING BACTERIAL INFECTIONS MPI, MANBA, MAN2A1 NR4A2 4776/4885ALDH1A1 1603/4885GAA 250/4885
US-20130217692-A1 CYCLIC AMIDE DERIVATIVE HDAC10, H1-10, H1-0 NR4A2 547/4885ALDH1A1 538/4885GAA 4354/4885

“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.