Sugi Predict

Sugi Predict / Compounds / SCHEMBL9070544

SCHEMBL9070544

SCHEMBL9070544

CCCCC(=O)C1=CCCCC1

nearest known ligand 0.55

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ HDAC4 P56524 2/20 0.46
▸ HDAC2 Q92769 2/20 0.46
▸ HDAC8 Q9BY41 2/20 0.46
▸ HDAC6 Q9UBN7 2/20 0.46
▸ CTSK P43235 1/20 0.45
▸ GABRA1 P14867 1/20 0.42
▸ GABRB2 P47870 1/20 0.42
▸ HSD17B3 P37058 6/20 0.41
▸ HTR7 P34969 1/20 0.40
▸ HDAC3 O15379 1/20 0.39
▸ HDAC1 Q13547 1/20 0.39
▸ HDAC7 Q8WUI4 1/20 0.39
▸ HDAC5 Q9UQL6 1/20 0.39
▸ ALDH1A1 P00352 1/20 0.39
▸ RAB9A P51151 1/20 0.39
▸ CES2 O00748 1/20 0.35
▸ CES1 P23141 1/20 0.35

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
SCHEMBL28238341 0.95 HDAC4 (0.44) HDAC4HDAC2HDAC8HDAC6CTSK
SCHEMBL9070599 0.95 HDAC4 (0.44) HDAC4HDAC2HDAC8HDAC6CTSK
SCHEMBL4418565 0.93 HSD17B3 (0.44) HDAC4HDAC2HDAC8HDAC6CTSK
SCHEMBL10490055 0.93 HSD17B3 (0.44) HDAC4HDAC2HDAC8HDAC6CTSK
SCHEMBL10170100 0.93 HSD17B3 (0.44) HDAC4HDAC2HDAC8HDAC6CTSK
SCHEMBL13458775 0.93 HSD17B3 (0.44) HDAC4HDAC2HDAC8HDAC6CTSK
SCHEMBL3938618 0.89 HDAC2 (0.48) HDAC4HDAC2HDAC8HDAC6CTSK
SCHEMBL11179045 0.87 HDAC4 (0.47) HDAC4HDAC2HDAC8HDAC6CTSK
SCHEMBL11179047 0.87 HDAC4 (0.47) HDAC4HDAC2HDAC8HDAC6CTSK
SCHEMBL11179042 0.87 HDAC4 (0.47) HDAC4HDAC2HDAC8HDAC6CTSK

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
US-11541044-B2 K-Ras modulators THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2023-01-03 — — US disclosed
US-20210196695-A1 K-RAS MODULATORS LEIDOS BIOMEDICAL RESEARCH, INC. 2021-07-01 — — US disclosed
US-10544106-B2 Certain chemical entities, compositions, and methods NEUPHARMA, INC. (US) 2020-01-28 — — US disclosed
US-20180072688-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS NEUPHARMA, INC. 2018-03-15 — — US disclosed
US-9663524-B2 Substituted pyrido[2,3-d]pyrimidines as protein kinase inhibitors CELGENE CAR LLC (BM) 2017-05-30 — — US disclosed
US-20170137463-A1 HCV PROTEASE INHIBITORS AND USES THEREOF CELGENE CAR LLC (BM) 2017-05-18 — — US disclosed
US-9556426-B2 Protein kinase conjugates and inhibitors CELGENE AVILOMICS RESEARCH, INC. (US) 2017-01-31 — — US disclosed
US-20160326216-A1 HCV PROTEASE INHIBITORS AND USES THEREOF CELGENE CAR LLC (BM) 2016-11-10 — — US disclosed
US-9212181-B2 Substituted 2,4-diaminopyrimidines as kinase inhibitors CELGENE AVILOMICS RESEARCH, INC. (US) 2015-12-15 — — US disclosed
US-20130131105-A1 HCV PROTEASE INHIBITORS AND USES THEREOF CELGENE AVILOMICS RESEARCH, INC. (US) 2013-05-23 — — 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-7982036-B2 4,6-disubstitued pyrimidines useful as kinase inhibitors AVILA THERAPEUTICS, INC. (US) 2011-07-19 — — US disclosed
US-20110117073-A1 Protein Kinase Conjugates and Inhibitors AVILA THERAPEUTICS, INC. (US) 2011-05-19 — — 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-20100029610-A1 Heteroaryl Compounds and Uses Thereof AVILA THERAPEUTICS, INC. (US) 2010-02-04 — — 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
US-20090137588-A1 HETEROARYL COMPOUNDS AND USES THEREOF AVILA THERAPEUTICS, INC. (US) 2009-05-28 — — 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-20100029610-A1 Heteroaryl Compounds and Uses Thereof ABCG2, CYP3A43, CYP3A5 HDAC4 2320/4885HDAC2 1013/4885HDAC8 1316/4885
US-11541044-B2 K-Ras modulators KRAS, HRAS, NRAS HDAC4 934/4885HDAC2 1507/4885HDAC8 595/4885
US-10544106-B2 Certain chemical entities, compositions, and methods BRAF, PIK3CA, PLK1 HDAC4 1128/4885HDAC2 808/4885HDAC8 929/4885
US-20100069294-A1 HCV PROTEASE INHIBITORS AND USES THEREOF PEPD, CTRL, CTSC HDAC4 1741/4885HDAC2 2129/4885HDAC8 1458/4885
US-20130131105-A1 HCV PROTEASE INHIBITORS AND USES THEREOF PEPD, CTRL, CTSC HDAC4 1741/4885HDAC2 2129/4885HDAC8 1458/4885
US-20090176858-A1 HCV PROTEASE INHIBITORS AND USES THEREOF PEPD, CTRL, CTSC HDAC4 1741/4885HDAC2 2129/4885HDAC8 1458/4885
US-20170137463-A1 HCV PROTEASE INHIBITORS AND USES THEREOF PEPD, CTRL, CTSC HDAC4 1741/4885HDAC2 2129/4885HDAC8 1458/4885
US-20160326216-A1 HCV PROTEASE INHIBITORS AND USES THEREOF PEPD, CTRL, CTSC HDAC4 1741/4885HDAC2 2129/4885HDAC8 1458/4885
US-20090137588-A1 HETEROARYL COMPOUNDS AND USES THEREOF ABCG2, CYP3A43, CYP3A5 HDAC4 2320/4885HDAC2 1013/4885HDAC8 1316/4885
US-20180072688-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS BRAF, PIK3CA, PLK1 HDAC4 1128/4885HDAC2 808/4885HDAC8 929/4885
US-20110207736-A1 COMPOUNDS THAT MODULATE EGFR ACTIVITY AND METHODS FOR TREATING OR PREVENTING CONDITIONS THEREWITH EGFR, ERBB2, BRCA1 HDAC4 1796/4885HDAC2 2026/4885HDAC8 681/4885
US-20090306085-A1 HCV PROTEASE INHIBITORS AND USES THEREOF PEPD, CTRL, CTSC HDAC4 1741/4885HDAC2 2129/4885HDAC8 1458/4885
US-20210196695-A1 K-RAS MODULATORS KRAS, HRAS, NRAS HDAC4 934/4885HDAC2 1507/4885HDAC8 595/4885
US-20100041674-A1 HCV PROTEASE INHIBITORS AND USES THEREOF PEPD, CTRL, CTSC HDAC4 1741/4885HDAC2 2129/4885HDAC8 1458/4885
US-20100041591-A1 HCV PROTEASE INHIBITORS AND USES THEREOF PEPD, CTRL, CTSC HDAC4 1741/4885HDAC2 2129/4885HDAC8 1458/4885
US-20110117073-A1 Protein Kinase Conjugates and Inhibitors MAP3K20, PACSIN2, MAP3K9 HDAC4 3095/4885HDAC2 2905/4885HDAC8 2209/4885

“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.