SCHEMBL540702

SCHEMBL540702

CC(C)(C)OC(=O)C1CCCCN1C(=O)O

nearest known ligand 0.47

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
FKBP1A P62942 12/20 0.47
HSD17B10 Q99714 2/20 0.46
SMN1; SMN2 Q16637 1/20 0.40
ROCK2 O75116 1/20 0.40
HPGD P15428 1/20 0.39
LMNA P02545 1/20 0.39
CYP2C19 P33261 1/20 0.39
CASP3 P42574 1/20 0.39

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
SCHEMBL5517111 1.00 FKBP1A (0.47) FKBP1AHSD17B10SMN1; SMN2ROCK2HPGD
SCHEMBL4154856 1.00 FKBP1A (0.47) FKBP1AHSD17B10SMN1; SMN2ROCK2HPGD
SCHEMBL750515 0.95 HSD17B10 (0.50) FKBP1AHSD17B10SMN1; SMN2ROCK2LMNA
SCHEMBL11932167 0.95 HSD17B10 (0.50) FKBP1AHSD17B10SMN1; SMN2ROCK2LMNA
SCHEMBL27410636 0.89 HSD17B10 (0.52) FKBP1AHSD17B10SMN1; SMN2ROCK2LMNA
SCHEMBL6234399 0.88 HSD17B10 (0.39) FKBP1AHSD17B10SMN1; SMN2ROCK2HPGD
SCHEMBL927348 0.87 HSD17B10 (0.56) FKBP1AHSD17B10SMN1; SMN2HPGDLMNA
SCHEMBL28153746 0.87 HSD17B10 (0.56) FKBP1AHSD17B10SMN1; SMN2HPGDLMNA
SCHEMBL12529807 0.87 FKBP1A (0.47) FKBP1AHSD17B10ROCK2HPGDCASP3
SCHEMBL3880061 0.85 FKBP1A (0.46) FKBP1AHSD17B10ROCK2HPGDLMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114736201-A Preparation method of umeclidinium bromide intermediate 奥锐特药业(天津)有限公司 2022-07-12 CN disclosed
US-9771375-B2 Indazole compounds useful as ketohexokinase inhibitors JANSSEN PHARMACEUTICA NV (BE) 2017-09-26 US disclosed
US-9175003-B2 Substituted azoanthracene derivatives and intermediates for preparation thereof VTV THERAPEUTICS LLC (US) 2015-11-03 US disclosed
EP-2413693-B1 SUBSTITUTED AZOANTHRACENE DERIVATIVES, PHARMACEUTICAL COMPOSITIONS, AND METHODS OF USE THEREOF VTV THERAPEUTICS LLC (US) 2015-09-09 EP disclosed
US-20150148539-A1 Substituted Azoanthracene Derivatives and Intermediates for Preparation Thereof VTV THERAPEUTICS LLC 2015-05-28 US disclosed
EP-2560962-B1 INDAZOLE COMPOUNDS USEFUL AS KETOHEXOKINASE INHIBITORS JANSSEN PHARMACEUTICA NV (BE) 2015-05-20 EP disclosed
US-8987295-B2 Substituted azoanthracene derivatives, pharmaceutical compositions, and methods of use thereof TRANSTECH PHARMA, LLC (US) 2015-03-24 US disclosed
US-20140336170-A1 INDAZOLE COMPOUNDS USEFUL AS KETOHEXOKINASE INHIBITORS JANSSEN PHARMACEUTICA NV (US) 2014-11-13 US disclosed
US-8822447-B2 Indazole compounds useful as ketohexokinase inhibitors JANSSEN PHARMACEUTICA NV (BE) 2014-09-02 US disclosed
US-20130096150-A1 Substituted Azoanthracene Derivatives, Pharmaceutical Compositions, and Methods of Use Thereof TRANSTECH PHARMA, INC. (US) 2013-04-18 US disclosed
WO-2009072643-A1 NITROGEN-CONTAINING HETEROCYCLIC COMPOUND AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-06-11 WO disclosed
WO-2009010480-A1 1-{2-[(DIPHENYL)AMINO]-ETHYL}-PIPERIDINE-4-CARBOXYLIC ACID BENZYLAMIDE DERIVATIVES AND RELATED COMPOUNDS AS CCR5 AGONISTS FOR THE TREATMENT OF IMMUNE AND INFLAMMATORY DISEASES EUROSCREEN S.A. (BE) 2009-01-22 WO disclosed
EP-1960347-A2 17-BETA-HYDROXYSTEROID DEHYDROGENASE TYPE 3 (17BETA-HSD3) INHIBITORS Sterix Limited (GB) 2008-08-27 EP disclosed
WO-2008061016-A1 N-SUBSTITUTED PIPERIDINYL 4 -ARYLSULFONAMIDES AS MODULATORS OF THE SECRETED FRIZZLED RELATED PROTEIN- 1 WYETH (US) 2008-05-22 WO disclosed
CN-101094840-A Quinazoline derivatives for inhibiting the growth of cancer cells and methods for preparing the same HANMI PHARM IND CO LTD (KR) 2007-12-26 CN disclosed
US-20070254872-A1 Antibacterial Agents GLAXO GROUP LIMITED (GB) 2007-11-01 US disclosed
EP-1831194-A1 HETEROCYCLIC MCHr1 ANTAGONISTS AND THEIR USE IN THERAPY AstraZeneca AB (SE) 2007-09-12 EP disclosed
WO-2007003934-A2 17BETA-HYDR0XYSTER0ID DEHYDROGENASE TYPE 3 (17BETA-HSD3 ) INHIBITORS STERIX LIMITED (GB) 2007-01-11 WO disclosed
WO-2006068594-A1 HETEROCYCLIC MCHr1 ANTAGONISTS AND THEIR USE IN THERAPY ASTRAZENECA AB (SE) 2006-06-29 WO disclosed
US-20050256164-A1 NK1 and NK3 antagonists PFIZER INC 2005-11-17 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 (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-20130096150-A1 Substituted Azoanthracene Derivatives, Pharmaceutical Compositions, and Methods of Use Thereof GLP1R, GIPR, GPR119 FKBP1A 2108/4885HSD17B10 1129/4885SMN1; SMN2 3375/4885
US-20140336170-A1 INDAZOLE COMPOUNDS USEFUL AS KETOHEXOKINASE INHIBITORS KHK, GCK, GCKR FKBP1A 2147/4885HSD17B10 279/4885SMN1; SMN2 4799/4885
US-20050256164-A1 NK1 and NK3 antagonists TAC3, TACR1, TACR2 FKBP1A 2549/4885HSD17B10 4616/4885SMN1; SMN2 3088/4885
US-20150148539-A1 Substituted Azoanthracene Derivatives and Intermediates for Preparation Thereof GLP1R, GIPR, GPR119 FKBP1A 1681/4885HSD17B10 784/4885SMN1; SMN2 4000/4885
US-20070254872-A1 Antibacterial Agents NQO2, NQO1, NDUFV2 FKBP1A 3162/4885HSD17B10 3178/4885SMN1; SMN2 2534/4885

“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.