Sugi Predict

Sugi Predict / Compounds / SCHEMBL1491687

SCHEMBL1491687

SCHEMBL1491687

O=C(CCCCCCC(=O)Nc1ccc(CN[C@H](C(=O)OC2CCCC2)C2CCCCC2)cc1)NO

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 1/20 0.47
▸ HTT P42858 1/20 0.47
▸ HDAC1 Q13547 15/20 0.46
▸ HDAC6 Q9UBN7 15/20 0.46
▸ HDAC3 O15379 13/20 0.46
▸ CDK9 P50750 2/20 0.46
▸ HDAC2 Q92769 11/20 0.46
▸ HDAC8 Q9BY41 10/20 0.45
▸ HDAC11 Q96DB2 9/20 0.45
▸ HDAC10 Q969S8 8/20 0.45
▸ HDAC4 P56524 8/20 0.45
▸ HDAC7 Q8WUI4 8/20 0.45
▸ HDAC9 Q9UKV0 8/20 0.45
▸ HDAC5 Q9UQL6 8/20 0.45
▸ SMN1; SMN2 Q16637 1/20 0.43
▸ NCOR2 Q9Y618 2/20 0.43
▸ KDM4E B2RXH2 1/20 0.42
▸ BRD4 O60885 1/20 0.42
▸ NCOR1 O75376 1/20 0.42
▸ NR1I2 O75469 1/20 0.42

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
SCHEMBL1491691 1.00 ALDH1A1 (0.47) ALDH1A1HTTHDAC1HDAC6HDAC3
SCHEMBL12673060 0.90 HDAC1 (0.50) HDAC1HDAC6HDAC3HDAC2HDAC8
SCHEMBL1491544 0.87 HDAC1 (0.49) HDAC1HDAC6HDAC3HDAC2HDAC8
SCHEMBL1491537 0.87 HDAC1 (0.49) HDAC1HDAC6HDAC3HDAC2HDAC8
SCHEMBL19716963 0.86 ITGB3 (0.43) ALDH1A1HDAC1HDAC6HDAC3HDAC2
SCHEMBL19716961 0.86 ITGB3 (0.43) ALDH1A1HDAC1HDAC6HDAC3HDAC2
SCHEMBL1491650 0.84 ALDH1A1 (0.42) ALDH1A1HTTHDAC1HDAC6HDAC3
SCHEMBL1491649 0.84 ALDH1A1 (0.42) ALDH1A1HTTHDAC1HDAC6HDAC3
SCHEMBL1491646 0.84 ALDH1A1 (0.42) ALDH1A1HTTHDAC1HDAC6HDAC3
SCHEMBL1491721 0.83 HDAC1 (0.46) ALDH1A1HTTHDAC1HDAC6HDAC3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11572408-B2 Treatment of cancer with a semaphorin-4D antibody in combination with an epigenetic modulating agent VACCINEX, INC. (US) 2023-02-07 — — US disclosed
US-20210179708-A1 TREATMENT OF CANCER WITH A SEMAPHORIN-4D ANTIBODY IN COMBINATION WITH AN EPIGENETIC MODULATING AGENT VACCINEX, INC. (US) 2021-06-17 — — US disclosed
US-9133104-B2 Enzyme inhibitors CHROMA THERAPEUTICS LTD. (GB) 2015-09-15 — — US disclosed
US-20140163042-A1 ENZYME INHIBITORS CHROMA THERAPEUTICS LTD. (GB) 2014-06-12 — — US disclosed
US-20140163042-A1 ENZYME INHIBITORS CHROMA THERAPEUTICS LTD. (GB) 2014-06-12 — — US disclosed
US-20130116318-A1 Enzyme Inhibitors CHROMA THERAPEUTICS LTD. (GB) 2013-05-09 — — US disclosed
US-20130116318-A1 Enzyme Inhibitors CHROMA THERAPEUTICS LTD. (GB) 2013-05-09 — — US disclosed
EP-1879895-B1 ENZYME INHIBITORS CHROMA THERAPEUTICS LTD (GB) 2011-06-08 — — EP disclosed
EP-1879895-B1 ENZYME INHIBITORS CHROMA THERAPEUTICS LTD (GB) 2011-06-08 — — EP disclosed
US-7939666-B2 Enzyme inhibitors CHROMA THERAPEUTICS LTD. (GB) 2011-05-10 — — US disclosed
US-7939666-B2 Enzyme inhibitors CHROMA THERAPEUTICS LTD. (GB) 2011-05-10 — — US disclosed
US-7939666-B2 Enzyme inhibitors CHROMA THERAPEUTICS LTD. (GB) 2011-05-10 — — US disclosed
EP-2301939-A1 Enzyme inhibitors Chroma Therapeutics Limited (GB) 2011-03-30 — — EP disclosed
EP-2301939-A1 Enzyme inhibitors Chroma Therapeutics Limited (GB) 2011-03-30 — — EP disclosed
US-20090291978-A1 Enzyme Inhibitors CHROMA THERAPEUTICS LTD. (GB) 2009-11-26 — — US disclosed
US-20090291978-A1 Enzyme Inhibitors CHROMA THERAPEUTICS LTD. (GB) 2009-11-26 — — US disclosed
US-20090291978-A1 Enzyme Inhibitors CHROMA THERAPEUTICS LTD. (GB) 2009-11-26 — — US disclosed
EP-1879895-A1 ENZYME INHIBITORS Chroma Therapeutics Limited (GB) 2008-01-23 — — EP disclosed
WO-2006117549-A1 ENZYME INHIBITORS CHROMA THERAPEUTICS LTD (GB) 2006-11-09 — — WO disclosed
WO-2006117549-A1 ENZYME INHIBITORS CHROMA THERAPEUTICS LTD (GB) 2006-11-09 — — 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 (5 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-20130116318-A1 Enzyme Inhibitors HDAC1, HDAC11, HDAC7 ALDH1A1 220/4885HTT 3600/4885HDAC1 1/4885
US-11572408-B2 Treatment of cancer with a semaphorin-4D antibody in combination with an epigenetic modulating agent HDAC4, DNMT1, HDAC1 ALDH1A1 1226/4885HTT 1946/4885HDAC1 3/4885
US-20140163042-A1 ENZYME INHIBITORS HAT1, NR2E1, HDAC3 ALDH1A1 723/4885HTT 4755/4885HDAC1 5/4885
US-20210179708-A1 TREATMENT OF CANCER WITH A SEMAPHORIN-4D ANTIBODY IN COMBINATION WITH AN EPIGENETIC MODULATING AGENT HDAC4, DNMT1, HDAC1 ALDH1A1 1226/4885HTT 1946/4885HDAC1 3/4885
US-20090291978-A1 Enzyme Inhibitors HAT1, NR2E1, NR2C2 ALDH1A1 1343/4885HTT 4861/4885HDAC1 9/4885

“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.