SCHEMBL5127002

SCHEMBL5127002

COCc1cc(Br)ccc1C(=O)O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.44
GLA P06280 1/20 0.44
POLB P06746 2/20 0.42
AKR1C3 P42330 1/20 0.42
AKR1C2 P52895 1/20 0.42
MYC P01106 1/20 0.41
NR4A1 P22736 1/20 0.41
HSD17B10 Q99714 1/20 0.41
TDP1 Q9NUW8 3/20 0.41
ALDH1A1 P00352 2/20 0.41
PTGDR2 Q9Y5Y4 2/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
HPGD P15428 1/20 0.40
SORT1 Q99523 1/20 0.40
APEX1 P27695 1/20 0.40
LCK P06239 1/20 0.40
FYN P06241 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
SCHEMBL15197075 0.86 MAOA (0.47) KDM4EHSD17B10TDP1ALDH1A1PTGDR2
SCHEMBL257356 0.85 NR4A2 (0.48) KDM4EGLAHSD17B10TDP1ALDH1A1
SCHEMBL15100730 0.83 POLB (0.43) KDM4EGLAPOLBAKR1C3AKR1C2
SCHEMBL15100967 0.83 KDM4E (0.45) KDM4EGLAPOLBAKR1C3AKR1C2
SCHEMBL10689717 0.83 HSP90AB1 (0.45) KDM4EPOLBTDP1ALDH1A1PTGDR2
SCHEMBL28524315 0.82 CA12 (0.52) KDM4EPOLBMYCHSD17B10TDP1
SCHEMBL257249 0.82 KDM4E (0.50) KDM4EGLAPOLBMYCNR4A1
SCHEMBL8174893 0.80 PTGDR2 (0.49) KDM4EGLAPOLBTDP1PTGDR2
SCHEMBL15269543 0.80 HPGD (0.42) KDM4EHSD17B10TDP1ALDH1A1L3MBTL1
SCHEMBL15090678 0.80 EGFR (0.40) KDM4ETDP1ALDH1A1PTGDR2HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080070946-A1 Hydroxymethylbenzothiazoles Amides ASTRAZENECA AB (SE) 2008-03-20 US claimed
CN-101035775-A New hydroxymethylbenzothiazoles amides ASTRAZENECA AB (SE) 2007-09-12 CN claimed
EP-1799661-A1 NEW HYDROXYMETHYLBENZOTHIAZOLES AMIDES AstraZeneca AB (SE) 2007-06-27 EP claimed
WO-2006038871-A1 NEW HYDROXYMETHYLBENZOTHIAZOLES AMIDES ASTRAZENECA AB (SE) 2006-04-13 WO claimed
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
US-20080070946-A1 Hydroxymethylbenzothiazoles Amides ASTRAZENECA AB (SE) 2008-03-20 US disclosed
CN-101035775-A New hydroxymethylbenzothiazoles amides ASTRAZENECA AB (SE) 2007-09-12 CN disclosed
EP-1799661-A1 NEW HYDROXYMETHYLBENZOTHIAZOLES AMIDES AstraZeneca AB (SE) 2007-06-27 EP disclosed
WO-2006038871-A1 NEW HYDROXYMETHYLBENZOTHIAZOLES AMIDES ASTRAZENECA AB (SE) 2006-04-13 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 (3 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 KDM4E 3884/4885GLA 185/4885POLB 3812/4885
US-20080070946-A1 Hydroxymethylbenzothiazoles Amides TPMT, SDHA, SDHB KDM4E 779/4885GLA 1395/4885POLB 813/4885
US-20130217692-A1 CYCLIC AMIDE DERIVATIVE HDAC10, H1-10, H1-0 KDM4E 2413/4885GLA 2833/4885POLB 974/4885

“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.