Sugi Predict

Sugi Predict / Compounds / SCHEMBL9070448

SCHEMBL9070448

SCHEMBL9070448

CCCN(CC)C(=O)/C=C/CN(C)C

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP3A4 P08684 1/20 0.37
▸ CA12 O43570 3/20 0.36
▸ CA9 Q16790 3/20 0.36
▸ CA2 P00918 2/20 0.36
▸ NPC1 O15118 1/20 0.35
▸ L3MBTL1 Q9Y468 1/20 0.35
▸ TSHR P16473 1/20 0.34
▸ MAPK1 P28482 1/20 0.34
▸ APP P05067 2/20 0.34
▸ ALDH1A1 P00352 2/20 0.32
▸ CA1 P00915 2/20 0.32
▸ HPGD P15428 1/20 0.32
▸ HTT P42858 1/20 0.32
▸ TP53 P04637 1/20 0.32
▸ BTK Q06187 1/20 0.31
▸ RXRA P19793 1/20 0.31
▸ RXRB P28702 1/20 0.31
▸ RXRG P48443 1/20 0.31
▸ GABRA1 P14867 1/20 0.31
▸ GABRG2 P18507 1/20 0.31

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
SCHEMBL18405189 0.92 CA12 (0.39) CYP3A4CA12CA9CA2NPC1
SCHEMBL12518465 0.88 NPC1 (0.43) NPC1L3MBTL1ALDH1A1BTKCHRNB2
SCHEMBL14771986 0.84 ALDH1A1 (0.35) CA12CA9CA2TSHRMAPK1
SCHEMBL9070543 0.81 CASP1 (0.37) CA12CA9CA2BTKRXRA
SCHEMBL14959242 0.80 ALDH1A1 (0.37) NPC1L3MBTL1ALDH1A1BTKCHRNB2
SCHEMBL9005210 0.79 NPC1 (0.33) NPC1L3MBTL1BTKRXRARXRB
SCHEMBL18431821 0.79 CA12 (0.37) CA12CA9CA2NPC1L3MBTL1
SCHEMBL18405276 0.77 CA12 (0.44) CYP3A4CA12CA9CA2NPC1
SCHEMBL18743577 0.77 NPC1 (0.33) NPC1L3MBTL1RXRARXRBRXRG
SCHEMBL18431662 0.77 NPC1 (0.33) NPC1L3MBTL1RXRARXRBRXRG

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170101384-A1 ANDROGEN RECEPTOR ANTAGONISTS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2017-04-13 — — US disclosed
US-9556426-B2 Protein kinase conjugates and inhibitors CELGENE AVILOMICS RESEARCH, INC. (US) 2017-01-31 — — US disclosed
US-20160368930-A1 COMPOSITIONS AND METHODS FOR TREATING CANCER THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2016-12-22 — — US disclosed
WO-2016179558-A1 K-RAS MODULATORS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2016-11-10 — — WO disclosed
US-20160311780-A1 HETEROARYL COMPOUNDS AND USES THEREOF CELGENE AVILOMICS RES INC (US) 2016-10-27 — — US disclosed
US-20160235805-A1 HCV PROTEASE INHIBITORS AND USES THEREOF CELGENE CAR LLC (BM) 2016-08-18 — — US disclosed
US-20160046634-A1 HETEROARYL COMPOUNDS AND USES THEREOF BRISTOL-MYERS SQUIBB COMPANY 2016-02-18 — — US disclosed
WO-2015196144-A2 ANDROGEN RECEPTOR ANTAGONISTS ENGLAND PAMELA M (US) 2015-12-23 — — WO disclosed
US-9163061-B2 HCV protease inhibitors and uses thereof CELGENE AVILOMICS RESEARCH, INC. (US) 2015-10-20 — — US disclosed
US-20150175657-A1 HCV PROTEASE INHIBITORS AND USES THEREOF CELGENE CAR LLC (BM) 2015-06-25 — — US disclosed
US-20110230476-A1 PI3 KINASE INHIBITORS AND USES THEREOF AVILA THERAPEUTICS, INC. (US) 2011-09-22 — — US disclosed
US-20110224432-A1 HETEROARYL COMPOUNDS AND USES THEREOF AVILA THERAPEUTICS, INC. (US) 2011-09-15 — — US disclosed
US-20110207736-A1 COMPOUNDS THAT MODULATE EGFR ACTIVITY AND METHODS FOR TREATING OR PREVENTING CONDITIONS THEREWITH Gatekeeper Pharmaceuticals, Inc. 2011-08-25 — — US disclosed
US-20110117073-A1 Protein Kinase Conjugates and Inhibitors AVILA THERAPEUTICS, INC. (US) 2011-05-19 — — US disclosed
US-20100249092-A1 HETEROARYL COMPOUNDS AND USES THEREOF AVILA THERAPEUTICS, INC. (US) 2010-09-30 — — US disclosed
US-20100069294-A1 HCV PROTEASE INHIBITORS AND USES THEREOF AVILA THERAPEUTICS, INC. (US) 2010-03-18 — — US disclosed
US-20100041591-A1 HCV PROTEASE INHIBITORS AND USES THEREOF AVILA THERAPEUTICS, INC. (US) 2010-02-18 — — US disclosed
US-20100041674-A1 HCV PROTEASE INHIBITORS AND USES THEREOF AVILA THERAPEUTICS, INC. (US) 2010-02-18 — — US disclosed
US-20090306085-A1 HCV PROTEASE INHIBITORS AND USES THEREOF AVILA THERAPEUTICS, INC. (US) 2009-12-10 — — US disclosed
US-20090176858-A1 HCV PROTEASE INHIBITORS AND USES THEREOF AVILA THERAPEUTICS, INC. (US) 2009-07-09 — — US 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 (16 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-20160235805-A1 HCV PROTEASE INHIBITORS AND USES THEREOF PEPD, CTRL, CTSC CYP3A4 275/4885CA12 2068/4885CA9 1477/4885
US-20160311780-A1 HETEROARYL COMPOUNDS AND USES THEREOF ABCG2, CYP3A43, CYP3A5 CYP3A4 6/4885CA12 1714/4885CA9 1235/4885
US-20100069294-A1 HCV PROTEASE INHIBITORS AND USES THEREOF PEPD, CTRL, CTSC CYP3A4 275/4885CA12 2068/4885CA9 1477/4885
US-20100249092-A1 HETEROARYL COMPOUNDS AND USES THEREOF ABCG2, CYP3A43, CYP3A5 CYP3A4 6/4885CA12 1714/4885CA9 1235/4885
US-20090176858-A1 HCV PROTEASE INHIBITORS AND USES THEREOF PEPD, CTRL, CTSC CYP3A4 275/4885CA12 2068/4885CA9 1477/4885
US-20110230476-A1 PI3 KINASE INHIBITORS AND USES THEREOF PIK3CA, PIK3CB, PIK3C2B CYP3A4 4095/4885CA12 3485/4885CA9 2089/4885
US-20150175657-A1 HCV PROTEASE INHIBITORS AND USES THEREOF PEPD, CTRL, CTSC CYP3A4 275/4885CA12 2068/4885CA9 1477/4885
US-20160368930-A1 COMPOSITIONS AND METHODS FOR TREATING CANCER KRAS, HRAS, NRAS CYP3A4 4840/4885CA12 2086/4885CA9 1608/4885
US-20170101384-A1 ANDROGEN RECEPTOR ANTAGONISTS AR, LHCGR, FSHR CYP3A4 1425/4885CA12 3779/4885CA9 2580/4885
US-20110207736-A1 COMPOUNDS THAT MODULATE EGFR ACTIVITY AND METHODS FOR TREATING OR PREVENTING CONDITIONS THEREWITH EGFR, ERBB2, BRCA1 CYP3A4 4681/4885CA12 4062/4885CA9 4454/4885
US-20110224432-A1 HETEROARYL COMPOUNDS AND USES THEREOF ABCG2, CYP3A43, CYP3A5 CYP3A4 6/4885CA12 1714/4885CA9 1235/4885
US-20090306085-A1 HCV PROTEASE INHIBITORS AND USES THEREOF PEPD, CTRL, CTSC CYP3A4 275/4885CA12 2068/4885CA9 1477/4885
US-20160046634-A1 HETEROARYL COMPOUNDS AND USES THEREOF PRKACA, PRKDC, AURKC CYP3A4 3127/4885CA12 4523/4885CA9 4133/4885
US-20100041674-A1 HCV PROTEASE INHIBITORS AND USES THEREOF PEPD, CTRL, CTSC CYP3A4 275/4885CA12 2068/4885CA9 1477/4885
US-20100041591-A1 HCV PROTEASE INHIBITORS AND USES THEREOF PEPD, CTRL, CTSC CYP3A4 275/4885CA12 2068/4885CA9 1477/4885
US-20110117073-A1 Protein Kinase Conjugates and Inhibitors MAP3K20, PACSIN2, MAP3K9 CYP3A4 3668/4885CA12 4487/4885CA9 3318/4885

“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.