Sugi Predict

Sugi Predict / Compounds / SCHEMBL439860

SCHEMBL439860

SCHEMBL439860

COC(=O)/C=C/c1ccc(C)nc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CA12 O43570 2/20 0.57
▸ CA1 P00915 2/20 0.57
▸ CA2 P00918 2/20 0.57
▸ CA7 P43166 2/20 0.57
▸ CA9 Q16790 2/20 0.57
▸ CA14 Q9ULX7 2/20 0.57
▸ TYR P14679 1/20 0.57
▸ KDM4E B2RXH2 4/20 0.55
▸ SMN1; SMN2 Q16637 2/20 0.55
▸ KMT2A Q03164 2/20 0.55
▸ TTR P02766 2/20 0.53
▸ APP P05067 1/20 0.53
▸ FDPS P14324 2/20 0.52
▸ PTPN1 P18031 1/20 0.50
▸ EPHX2 P34913 1/20 0.49
▸ MAPT P10636 2/20 0.48
▸ ALDH1A1 P00352 2/20 0.48
▸ JAK2 O60674 1/20 0.48
▸ GAA P10253 1/20 0.48
▸ HTT P42858 1/20 0.48

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
SCHEMBL7397047 1.00 CA12 (0.57) CA12CA1CA2CA7CA9
SCHEMBL8663795 0.85 CA12 (0.64) CA12CA1CA2CA7CA9
SCHEMBL8663797 0.85 CA12 (0.64) CA12CA1CA2CA7CA9
SCHEMBL19025744 0.85 CA12 (0.59) CA12CA1CA2CA7CA9
SCHEMBL19039511 0.85 CA12 (0.59) CA12CA1CA2CA7CA9
SCHEMBL998917 0.83 CA12 (0.42) CA12CA1CA2CA7CA9
SCHEMBL998915 0.83 CA12 (0.42) CA12CA1CA2CA7CA9
SCHEMBL3618737 0.82 CA12 (0.56) CA12CA1CA2CA7CA9
SCHEMBL8664417 0.82 FDPS (0.58) CA12CA1CA2CA7CA9
SCHEMBL3629872 0.82 CA12 (0.56) CA12CA1CA2CA7CA9

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 26 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
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-9617251-B2 Indanylaminopyridylcyclopropanecarboxylic acids, pharmaceutical compositions and uses thereof BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2017-04-11 — — US disclosed
US-20170037040-A1 INDANYLAMINOPYRIDYLCYCLOPROPANECARBOXYLIC ACIDS, PHARMACEUTICAL COMPOSITIONS AND USES THEREOF BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2017-02-09 — — 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-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-20150216861-A1 CYCLOPROPYL AMIDE DERIVATIVES ASTRAZENECA AB (SE) 2015-08-06 — — US disclosed
US-20130197042-A1 HDAC INHIBITORS CHROMA THERAPEUTCS, LTD 2013-08-01 — — US disclosed
US-20120065193-A1 Cyclopropyl Amide Derivatives '978 ASTRAZENECA AB (SE) 2012-03-15 — — 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
WO-2008040934-A1 HDAC INHIBITORS CHROMA THERAPEUTICS LTD. (GB) 2008-04-10 — — WO disclosed
US-6462047-B1 CONTAINING 5- OR 6-MEMBERED OXYGEN, NITROGEN AND/OR SULFUR HETEROARYL GROUP; ANGINA, HYPERTENSION, RESPIRATORY DISTRESS, CONGESTIVE HEART FAILURE, RENAL FAILURE, ATHEROSCLEROSIS, INFLAMMATORY DISEASES, STROKES, BRONCHITIS, ASTHMA ICOS CORPORATION 2002-10-08 — — US disclosed
EP-1114048-A1 CARBOLINE DERIVATIVES AS CGMP PHOSPHODIESTERASE INHIBITORS Bombrun, Agnès (FR) 2001-07-11 — — EP disclosed
WO-2000015639-A1 CARBOLINE DERIVATIVES AS CGMP PHOSPHODIESTERASE INHIBITORS ICOS CORPORATION (US) 2000-03-23 — — 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 (6 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-20150216861-A1 CYCLOPROPYL AMIDE DERIVATIVES HRH4, HRH2, HRH3 CA12 1498/4885CA1 1340/4885CA2 989/4885
US-20100010010-A1 HDAC INHIBITORS HDAC1, HDAC3, HDAC2 CA12 494/4885CA1 97/4885CA2 84/4885
US-20160137594-A1 HDAC INHIBITORS HDAC1, HDAC11, HDAC2 CA12 1932/4885CA1 541/4885CA2 634/4885
US-20170037040-A1 INDANYLAMINOPYRIDYLCYCLOPROPANECARBOXYLIC ACIDS, PHARMACEUTICAL COMPOSITIONS AND USES THEREOF GPR119, GPR55, GPR65 CA12 2740/4885CA1 3714/4885CA2 926/4885
US-20130197042-A1 HDAC INHIBITORS HDAC1, HDAC3, HDAC2 CA12 507/4885CA1 97/4885CA2 83/4885
US-20120065193-A1 Cyclopropyl Amide Derivatives '978 HRH2, HRH4, HRH3 CA12 1429/4885CA1 1336/4885CA2 1041/4885

“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.