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Sugi Predict / Compounds / SCHEMBL538735

SCHEMBL538735

SCHEMBL538735

CC(C)(C)OC(=O)N1CCC2(CC1)CC(=O)c1ccc(F)cc1O2

nearest known ligand 0.52

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 1/20 0.50
▸ HSD11B1 P28845 1/20 0.50
▸ HDAC8 Q9BY41 5/20 0.49
▸ HDAC6 Q9UBN7 5/20 0.49
▸ HDAC3 O15379 4/20 0.49
▸ HDAC4 P56524 4/20 0.49
▸ HDAC1 Q13547 4/20 0.49
▸ HDAC7 Q8WUI4 4/20 0.49
▸ HDAC2 Q92769 4/20 0.49
▸ HDAC10 Q969S8 4/20 0.49
▸ HDAC11 Q96DB2 4/20 0.49
▸ HDAC9 Q9UKV0 4/20 0.49
▸ HDAC5 Q9UQL6 4/20 0.49
▸ GPR119 Q8TDV5 3/20 0.45
▸ CYP19A1 P11511 1/20 0.44
▸ CHRNA7 P36544 2/20 0.44

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
SCHEMBL1690779 0.91 HSD11B1 (0.60) KMT2AHSD11B1HDAC8HDAC6HDAC3
SCHEMBL23928845 0.90 CHRNA7 (0.51) KMT2AHSD11B1HDAC8HDAC6HDAC3
SCHEMBL471504 0.88 KMT2A (0.62) KMT2AHDAC8HDAC6HDAC3HDAC4
SCHEMBL12262158 0.88 HSD11B1 (0.56) KMT2AHSD11B1HDAC8HDAC6HDAC3
SCHEMBL1175691 0.87 HDAC3 (0.52) KMT2AHDAC8HDAC6HDAC3HDAC4
SCHEMBL2588356 0.87 KMT2A (0.50) KMT2AHDAC8HDAC6HDAC3HDAC4
SCHEMBL31235940 0.87 HDAC3 (0.52) KMT2AHDAC8HDAC6HDAC3HDAC4
SCHEMBL19030363 0.87 GPR119 (0.48) KMT2AHSD11B1HDAC1HDAC2GPR119
SCHEMBL3493525 0.86 KMT2A (0.49) KMT2AHDAC8HDAC6HDAC3HDAC4
SCHEMBL4256584 0.86 CYP19A1 (0.59) KMT2AHDAC8HDAC6HDAC3HDAC4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-107405337-B Substituted chromans and methods of use 艾伯维公司 2021-02-09 — — CN disclosed
EP-3212189-B1 SUBSTITUTED CHROMANES AND METHOD OF USE ABBVIE OVERSEAS SÀ RL (LU) 2020-09-09 — — EP disclosed
US-20190127356-A1 Substituted Chromanes and Method of Use ABBVIE OVERSEAS S.Á.R.L. (LU) 2019-05-02 — — US disclosed
EP-3212189-A1 SUBSTITUTED CHROMANES AND METHOD OF USE AbbVie S.À.R.L. (LU) 2017-09-06 — — EP disclosed
WO-2017124657-A1 BRUTON'S TYROSINE KINASE INHIBITOR HAVING SPIRAL OR BRIDGED RING STRUCTURE AND PREPARATION METHOD THEREOF 成都倍特药业有限公司 2017-07-27 — — WO disclosed
US-20170190693-A1 SUBSTITUTED CHROMANES AND METHOD OF USE ABBVIE S À R L (LU) 2017-07-06 — — US disclosed
US-9642831-B2 Substituted chromanes and method of use ABBVIE S.Á.R.L. (LU) 2017-05-09 — — US disclosed
EP-2595989-B1 HETEROCYCLIC CHROMENE-SPIROCYCLIC PIPERIDINE AMIDES AS MODULATORS OF ION CHANNELS VERTEX PHARMA (US) 2016-07-13 — — EP disclosed
US-9365588-B2 Benzoxazines as modulators of ion channels VERTEX PHARMACEUTICALS INCORPORATED (US) 2016-06-14 — — US disclosed
US-9365588-B2 Benzoxazines as modulators of ion channels VERTEX PHARMACEUTICALS INCORPORATED (US) 2016-06-14 — — US disclosed
US-20110306607-A1 HETEROCYCLIC CHROMENE-SPIROCYCLIC PIPERIDINE AMIDES AS MODULATORS OF ION CHANNELS VERTEX PHARMACEUTICALS INCORPORATED (US) 2011-12-15 — — US disclosed
US-20110306607-A1 HETEROCYCLIC CHROMENE-SPIROCYCLIC PIPERIDINE AMIDES AS MODULATORS OF ION CHANNELS VERTEX PHARMACEUTICALS INCORPORATED (US) 2011-12-15 — — US disclosed
WO-2011140425-A1 HETEROCYCLIC CHROMENE-SPIROCYCLIC PIPERIDINE AMIDES AS MODULATORS OF ION CHANNELS VERTEX PHARMACEUTICALS INCORPORATED (US) 2011-11-10 — — WO disclosed
WO-2011140425-A1 HETEROCYCLIC CHROMENE-SPIROCYCLIC PIPERIDINE AMIDES AS MODULATORS OF ION CHANNELS VERTEX PHARMACEUTICALS INCORPORATED (US) 2011-11-10 — — WO disclosed
WO-2010112520-A1 SPIRO DERIVATIVES FOR THE MODULATION OF STEAROYL-COA DESATURASE NOVARTIS AG (CH) 2010-10-07 — — WO disclosed
US-20100113418-A1 HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-05-06 — — US disclosed
US-20100113418-A1 HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-05-06 — — US disclosed
US-20090270435-A1 Spiroketone Acetyl-CoA Carboxylase Inhibitors CORBETT JEFFREY WAYNE 2009-10-29 — — US disclosed
EP-2097420-A1 SPIROKETONE ACETYL-COA CARBOXYLASE INHIBITORS Pfizer Products Inc. (US) 2009-09-09 — — EP disclosed
WO-2008065508-A1 SPIROKETONE ACETYL-COA CARBOXYLASE INHIBITORS PFIZER PRODUCTS INC. (US) 2008-06-05 — — 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-20170190693-A1 SUBSTITUTED CHROMANES AND METHOD OF USE CFTR, CHRM3, CHRM2 KMT2A 4725/4885HSD11B1 541/4885HDAC8 3558/4885
US-20110306607-A1 HETEROCYCLIC CHROMENE-SPIROCYCLIC PIPERIDINE AMIDES AS MODULATORS OF ION CHANNELS KCNJ2, TRPV1, KCNJ1 KMT2A 2425/4885HSD11B1 4536/4885HDAC8 200/4885
US-20090270435-A1 Spiroketone Acetyl-CoA Carboxylase Inhibitors ACACA, PC, ACACB KMT2A 2243/4885HSD11B1 372/4885HDAC8 485/4885
US-20100113418-A1 HETEROCYCLIC COMPOUND ACACA, ACAT1, CPT1B KMT2A 1419/4885HSD11B1 270/4885HDAC8 846/4885
US-20190127356-A1 Substituted Chromanes and Method of Use CFTR, CHRM3, CHRM2 KMT2A 4725/4885HSD11B1 541/4885HDAC8 3558/4885

“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.