Sugi Predict

Sugi Predict / Compounds / SCHEMBL8737769

SCHEMBL8737769

SCHEMBL8737769

CN(C(=O)OC(C)(C)C)C(=O)OC(C)(C)C

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HDAC6 Q9UBN7 2/20 0.39
▸ HDAC1 Q13547 1/20 0.39
▸ HDAC2 Q92769 1/20 0.39
▸ DGAT1 O75907 1/20 0.39
▸ CA14 Q9ULX7 2/20 0.35
▸ CTSD P07339 1/20 0.33
▸ CTSL P07711 1/20 0.33
▸ CTSB P07858 1/20 0.33
▸ CTSS P25774 1/20 0.33
▸ ASGR1 P07306 1/20 0.32
▸ NFKB1 P19838 1/20 0.32
▸ NFKB2 Q00653 1/20 0.32
▸ RELA Q04206 1/20 0.32
▸ CA12 O43570 1/20 0.31
▸ CA1 P00915 1/20 0.31
▸ CA7 P43166 1/20 0.31
▸ USP2 O75604 1/20 0.31
▸ SMN1; SMN2 Q16637 1/20 0.31
▸ PAX8 Q06710 1/20 0.31
▸ HSD11B1 P28845 1/20 0.30

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
SCHEMBL23452708 0.90 DGAT1 (0.43) HDAC6HDAC1HDAC2DGAT1CA14
SCHEMBL9873641 0.87 HDAC6 (0.36) HDAC6HDAC1HDAC2DGAT1CA14
SCHEMBL28676568 0.87 HDAC6 (0.36) HDAC6HDAC1HDAC2DGAT1CA14
SCHEMBL8098483 0.87 HDAC6 (0.40) HDAC6HDAC1HDAC2DGAT1CA14
Adamantane SCHEMBL135442 0.86 HSD11B1 (0.43) HDAC6HDAC1HDAC2DGAT1CTSD
SCHEMBL27564333 0.86 ALDH1A1 (0.38) HDAC6HDAC1HDAC2DGAT1CA14
SCHEMBL3126231 0.85 DGAT1 (0.38) HDAC6HDAC1HDAC2DGAT1CA14
SCHEMBL844210 0.85 HDAC6 (0.35) HDAC6HDAC1HDAC2DGAT1CA14
SCHEMBL24737134 0.84 NFKB1 (0.45) HDAC6HDAC1HDAC2CA14NFKB1
SCHEMBL432112 0.83 HDAC6 (0.37) HDAC6HDAC1HDAC2DGAT1CA14

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4289428-A1 NITROGEN-CONTAINING POLYCYCLIC FUSED RING COMPOUND, PHARMACEUTICAL COMPOSITION THEREOF, PREPARATION METHOD THEREFOR, AND USE THEREOF Applied Pharmaceutical Science, Inc. (CN) 2023-12-13 — — EP disclosed
WO-2022221514-A1 METHODS OF PREPARING CARBANUCLEOSIDES USING AMIDES GILEAD SCIENCES, INC. (US) 2022-10-20 — — WO disclosed
WO-2019062802-A1 ISOXAZOLINE DERIVATIVES AND THEIR USES IN AGRICULTURE RELATED APPLICATION DONGGUAN HEC TECH R & D CO., LTD. (CN) 2019-04-04 — — WO disclosed
US-20180201588-A1 PHENOXYMETHYL DERIVATIVES HOFFMANN-LA ROCHE INC. (US) 2018-07-19 — — US disclosed
US-9920050-B2 Fused heterocyclic compound and pest control use thereof SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2018-03-20 — — US disclosed
US-9920050-B2 Fused heterocyclic compound and pest control use thereof SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2018-03-20 — — US disclosed
US-9760003-B2 Pattern forming method and actinic-ray- or radiation-sensitive resin composition FUJIFILM CORPORATION (JP) 2017-09-12 — — US disclosed
US-9709892-B2 Actinic-ray- or radiation-sensitive resin composition and method of forming pattern using the same FUJIFILM CORPORATION (JP) 2017-07-18 — — US disclosed
US-9568824-B2 Actinic-ray- or radiation-sensitive resin composition, resist film therefrom and method of forming pattern therewith FUJIFILM CORPORATION (JP) 2017-02-14 — — US disclosed
US-9557643-B2 Pattern forming method, actinic ray-sensitive or radiation-sensitive resin composition, resist film, manufacturing method of electronic device using the same and electronic device FUJIFILM CORPORATION (JP) 2017-01-31 — — US disclosed
US-20110183263-A1 ACTINIC-RAY- OR RADIATION-SENSITIVE RESIN COMPOSITION AND METHOD OF FORMING PATTERN USING THE COMPOSITION FUJIFILM CORPORATION (JP) 2011-07-28 — — US disclosed
US-20110091809-A1 ACTINIC-RAY- OR RADIATION-SENSITIVE RESIN COMPOSITION AND METHOD OF FORMING PATTERN USING THE COMPOSITION FUJIFILM CORPORATION (JP) 2011-04-21 — — US disclosed
US-7601798-B2 Methods of preparing polymers having terminal amine groups using protected amine salts ENZON PHARMACEUTICALS, INC. (US) 2009-10-13 — — US disclosed
US-7569657-B2 Methods of preparing polymers having terminal amine groups using protected amine salts ENZON PHARMACEUTICALS, INC. (US) 2009-08-04 — — US disclosed
US-7482478-B2 Diastereoselective epoxidation of allylically substituted alkenes using metalloporphyrin catalysts THE UNIVERSITY OF HONG KONG (CN) 2009-01-27 — — US disclosed
US-7482478-B2 Diastereoselective epoxidation of allylically substituted alkenes using metalloporphyrin catalysts THE UNIVERSITY OF HONG KONG (CN) 2009-01-27 — — US disclosed
US-20070078257-A1 Methods of preparing polymers having terminal amine groups using protected amine salts BELROSE PHARMA INC. 2007-04-05 — — US disclosed
US-20070078219-A1 METHODS OF PREPARING POLYMERS HAVING TERMINAL AMINE GROUPS USING PROTECTED AMINE SALTS ENZON PHARMACEUTICALS, INC. (US) 2007-04-05 — — US disclosed
US-4990508-A Reduced side effects TOYAMA CHEMICAL CO., LTD. (JP) 1991-02-05 — — US disclosed
CN-1037156-A Peptides, its preparation method and contain the pharmaceutical composition of this compounds FUJISAWA PHARMACEUTICAL CO (JP) 1989-11-15 — — CN 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 (1 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-20180201588-A1 PHENOXYMETHYL DERIVATIVES CNKSR1, RB1, RCOR1 HDAC6 891/4885HDAC1 158/4885HDAC2 534/4885

“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.