SCHEMBL1410550

SCHEMBL1410550

COC(=O)CCc1ccc(CO)nc1

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CYP4F2 P78329 2/20 0.42
CYP4A11 Q02928 2/20 0.42
CYP11B1 P15538 6/20 0.42
CYP11B2 P19099 6/20 0.42
ADRB2 P07550 1/20 0.42
ADRB1 P08588 1/20 0.42
P4HTM Q9NXG6 1/20 0.41
ALDH1A1 P00352 2/20 0.39
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
IDO1 P14902 1/20 0.39
LMNA P02545 1/20 0.39
MAPT P10636 1/20 0.39
HTT P42858 1/20 0.39
KMT2A Q03164 1/20 0.39
HSD17B10 Q99714 1/20 0.39
KDM4E B2RXH2 1/20 0.38
F2RL1 P55085 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
SCHEMBL18291564 0.88 POLB (0.45) CYP4F2CYP4A11CYP11B1CYP11B2ADRB2
SCHEMBL22242096 0.86 CYP11B1 (0.41) CYP4F2CYP4A11CYP11B1CYP11B2ADRB2
SCHEMBL29108309 0.84 CYP4F2 (0.53) CYP4F2CYP4A11CYP11B1CYP11B2ALDH1A1
SCHEMBL30640107 0.84 CYP4F2 (0.53) CYP4F2CYP4A11CYP11B1CYP11B2ALDH1A1
Hydrochloric Acid SCHEMBL11132194 0.84 CYP4F2 (0.59) CYP4F2CYP4A11P4HTMALDH1A1MAPT
SCHEMBL24347855 0.81 ADRB2 (0.43) CYP11B1CYP11B2ADRB2ADRB1P4HTM
SCHEMBL4734773 0.81 TSHR (0.51) CYP4F2CYP4A11CYP11B1CYP11B2ADRB2
SCHEMBL29027272 0.80 P4HTM (0.62) P4HTMLMNA
SCHEMBL20037758 0.79 CYP11B1 (0.43) CYP4F2CYP4A11CYP11B1CYP11B2ADRB2
SCHEMBL15820303 0.79 CYP11B1 (0.48) CYP4F2CYP4A11CYP11B1CYP11B2ADRB2

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 30 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2069291-B1 HDAC INHIBITORS GLAXOSMITHKLINE IP DEV LTD (GB) 2017-12-20 EP disclosed
EP-2069291-B1 HDAC INHIBITORS GLAXOSMITHKLINE IP DEV LTD (GB) 2017-12-20 EP disclosed
US-9725407-B2 HDAC inhibitors GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2017-08-08 US disclosed
US-9725407-B2 HDAC inhibitors GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2017-08-08 US disclosed
US-9725407-B2 HDAC inhibitors GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2017-08-08 US disclosed
CN-104151200-B Hdac inhibitor 葛兰素史克知识产权发展有限公司 2017-06-20 CN disclosed
US-20160137594-A1 HDAC INHIBITORS CHROMA THERAPEUTICS LTD. (GB) 2016-05-19 US disclosed
US-20160137594-A1 HDAC INHIBITORS CHROMA THERAPEUTICS LTD. (GB) 2016-05-19 US disclosed
US-20160137594-A1 HDAC INHIBITORS CHROMA THERAPEUTICS LTD. (GB) 2016-05-19 US disclosed
US-9273003-B2 Methods of treating lymphoma and rheumatoid arthritis with cyclopentyl (2S)-cyclohexyl[({6-[3-(hydroxyamino)-3-oxopropyl]pyridin-3-yl}methyl)amino]acetate GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2016-03-01 US disclosed
US-20130197042-A1 HDAC INHIBITORS CHROMA THERAPEUTCS, LTD 2013-08-01 US disclosed
US-20130197042-A1 HDAC INHIBITORS CHROMA THERAPEUTCS, LTD 2013-08-01 US disclosed
US-20130197042-A1 HDAC INHIBITORS CHROMA THERAPEUTCS, LTD 2013-08-01 US disclosed
EP-2295410-A1 HDAC inhibitor Chroma Therapeutics Limited (GB) 2011-03-16 EP disclosed
EP-2295410-A1 HDAC inhibitor Chroma Therapeutics Limited (GB) 2011-03-16 EP disclosed
US-20100010010-A1 HDAC INHIBITORS CHROMA THERAPEUTICS LTD. (GB) 2010-01-14 US disclosed
US-20100010010-A1 HDAC INHIBITORS CHROMA THERAPEUTICS LTD. (GB) 2010-01-14 US disclosed
US-20100010010-A1 HDAC INHIBITORS CHROMA THERAPEUTICS LTD. (GB) 2010-01-14 US disclosed
CN-101528677-A HDAC inhibitors CHROMA THERAPEUTICS LTD (GB) 2009-09-09 CN disclosed
WO-2008040934-A1 HDAC INHIBITORS CHROMA THERAPEUTICS LTD. (GB) 2008-04-10 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-20100010010-A1 HDAC INHIBITORS HDAC1, HDAC3, HDAC2 CYP4F2 2225/4885CYP4A11 1707/4885CYP11B1 1614/4885
US-20160137594-A1 HDAC INHIBITORS HDAC1, HDAC11, HDAC2 CYP4F2 3368/4885CYP4A11 2489/4885CYP11B1 1756/4885
US-20130197042-A1 HDAC INHIBITORS HDAC1, HDAC3, HDAC2 CYP4F2 2271/4885CYP4A11 1777/4885CYP11B1 1632/4885

“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.