SCHEMBL4387957

SCHEMBL4387957

CC(C)(C)OC(=O)n1c(CBr)cc2cc(Cl)ccc21

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NR1H2 P55055 10/20 0.40
PPARG P37231 1/20 0.39
PPARA Q07869 1/20 0.39
OXER1 Q8TDS5 1/20 0.39
NR1H3 Q13133 3/20 0.38
LMNA P02545 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
CCR2 P41597 1/20 0.36
ROCK2 O75116 1/20 0.36
CHEK2 O96017 1/20 0.36
PRKACA P17612 1/20 0.36
RPS6KA3 P51812 1/20 0.36
PAK1 Q13153 1/20 0.36
ROCK1 Q13464 1/20 0.36
DYRK1A Q13627 1/20 0.36
PRKD2 Q9BZL6 1/20 0.36
ACLY P53396 1/20 0.36

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
SCHEMBL28544367 0.89 ACLY (0.35) NR1H2PPARGPPARAOXER1LMNA
SCHEMBL19013549 0.88 NR1H2 (0.41) NR1H2PPARGPPARAOXER1NR1H3
SCHEMBL18990363 0.88 NR1H2 (0.40) NR1H2PPARGPPARAOXER1NR1H3
SCHEMBL29631993 0.88 NR1H2 (0.41) NR1H2PPARGPPARAOXER1NR1H3
SCHEMBL31095612 0.86 NR1H2 (0.43) NR1H2OXER1NR1H3
SCHEMBL5519418 0.83 NR1H2 (0.56) NR1H2NR1H3
SCHEMBL5096665 0.82 L3MBTL1 (0.44) NR1H2OXER1LMNAL3MBTL1MEN1
SCHEMBL4389624 0.81 AKR1C3 (0.49) NR1H2NR1H3LMNAL3MBTL1MEN1
SCHEMBL30721519 0.81 IDO1 (0.43) NR1H2OXER1LMNAMEN1KMT2A
SCHEMBL29540854 0.81 MAPT (0.43) NR1H2NR1H3LMNACCR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-112654354-A 1,3,4, 9-tetrahydro-2H-pyrido [3,4-b ] indole derivative compound and application thereof 菲尼克思药业股份有限公司 2021-04-13 CN disclosed
US-7612075-B2 Substituted oxoazaheterocyclyl compounds AVENTIS PHARMACEUTICALS INC. (US) 2009-11-03 US disclosed
EP-1086099-B1 SULFONIC ACID OR SULFONYLAMINO N-(HETEROARALKYL)-AZAHETEROCYCLYLAMIDE COMPOUNDS AVENTIS PHARMA INC (US) 2005-09-28 EP disclosed
US-20040102450-A1 Substituted oxoazaheterocyclyl compounds AVENTIS PHARMACEUTICALS INC. (US) 2004-05-27 US disclosed
EP-1208097-A2 SUBSTITUTED OXOAZAHETEROCYCLYL COMPOUNDS Aventis Pharmaceuticals Inc. (US) 2002-05-29 EP disclosed
US-20020013310-A1 Sulfonic acid or sulfonylamino N-(heteroaralkyl)-azaheterocyclylamide compounds AVENTIS PHARMACEUTICALS PRODUCTS INC. 2002-01-31 US disclosed
EP-1086099-A4 SULFONIC ACID OR SULFONYLAMINO N-(HETEROARALKYL)-AZAHETEROCYCLYLAMIDE COMPOUNDS AVENTIS PHARM PROD INC (US) 2002-01-02 EP disclosed
US-6281227-B1 INHIBITORS OF THE ACTIVITY OF FACTOR XA. AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2001-08-28 US disclosed
EP-1086099-A1 SULFONIC ACID OR SULFONYLAMINO N-(HETEROARALKYL)-AZAHETEROCYCLYLAMIDE COMPOUNDS Aventis Pharmaceuticals Products Inc. (US) 2001-03-28 EP disclosed
WO-2001007436-A2 SUBSTITUTED OXOAZAHETEROCYCLYL COMPOUNDS AVENTIS PHARMACEUTICALS INC. (US) 2001-02-01 WO disclosed
WO-1999062904-A1 SULFONIC ACID OR SULFONYLAMINO N-(HETEROARALKYL)-AZAHETEROCYCLYLAMIDE COMPOUNDS AVENTIS PHARMACEUTICALS PRODUCTS INC. (US) 1999-12-09 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 (2 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-20040102450-A1 Substituted oxoazaheterocyclyl compounds F13B, F9, F11 NR1H2 236/4885PPARG 4588/4885PPARA 4605/4885
US-20020013310-A1 Sulfonic acid or sulfonylamino N-(heteroaralkyl)-azaheterocyclylamide compounds STS, ARSA, F12 NR1H2 375/4885PPARG 2788/4885PPARA 2473/4885

“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.