SCHEMBL5256182

SCHEMBL5256182

CC(C)(C)OC(=O)C(C)(C)Cc1ccc(Br)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTSS P25774 1/20 0.41
CTSK P43235 1/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
NPC1 O15118 1/20 0.41
RECQL P46063 1/20 0.41
RAB9A P51151 1/20 0.41
LMNA P02545 2/20 0.39
FPR3 P25089 1/20 0.37
FPR2 P25090 1/20 0.37
CYP2D6 P10635 2/20 0.37
CYP2C9 P11712 2/20 0.37
CYP2C19 P33261 2/20 0.37
TSHR P16473 1/20 0.37
MAOB P27338 1/20 0.37
MME P08473 1/20 0.37
KDM4E B2RXH2 1/20 0.36
GLA P06280 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
CACNA1B Q00975 1/20 0.36
MMP1 P03956 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
SCHEMBL4768519 0.84 KMT2A (0.45) SMN1; SMN2NPC1RAB9ALMNAKDM4E
SCHEMBL7091384 0.82 MMP8 (0.46) SMN1; SMN2RECQLLMNACYP2D6CYP2C9
SCHEMBL25262349 0.81 CA2 (0.44) LMNATSHRKDM4EPOLBRXRA
SCHEMBL2721911 0.81 HTT (0.45) CTSKSMN1; SMN2NPC1RECQLRAB9A
SCHEMBL28809440 0.81 RIPK1 (0.48) CTSSCTSKCYP2D6CYP2C19MAOB
SCHEMBL29438244 0.81 RIPK1 (0.48) CTSSCTSKCYP2D6CYP2C19MAOB
SCHEMBL6777845 0.80 EPHX2 (0.41) SMN1; SMN2NPC1RECQLRAB9ALMNA
SCHEMBL23582696 0.80 CA2 (0.46) LMNACYP2D6CYP2C9CYP2C19TSHR
SCHEMBL18982945 0.80 ALDH1A1 (0.37) L3MBTL1MMP9MMP13ELANE
SCHEMBL16553913 0.80 SMN1; SMN2 (0.47) CTSSCTSKSMN1; SMN2NPC1RECQL

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114901653-B Novel amide derivatives useful as diacylglycerol acyltransferase 2 inhibitors and uses thereof 株式会社LG化学 2024-11-22 CN disclosed
CN-114901653-A Novel amide derivatives useful as diacylglycerol acyltransferase 2 inhibitors and uses thereof 株式会社LG化学 2022-08-12 CN disclosed
WO-2021133038-A1 NOVEL AMIDE DERIVATIVE USEFUL AS DIACYLGLYCEROL ACYLTRANSFERASE 2 INHIBITOR, AND USE THEREOF 주식회사 엘지화학 2021-07-01 WO disclosed
EP-1517895-B1 8-(BIARYL) QUINOLINE PDE4 INHIBITORS MERCK FROSST CANADA LTD (CA) 2007-03-14 EP disclosed
US-7153968-B2 8-(biaryl)quinoline PDE4 inhibitors MERCK FROSST CANADA, LTD. (CA) 2006-12-26 US disclosed
US-20050234238-A1 8-(Biaryl)quinoline pde4 inhibitors MERCK FROSST CANADA LTD. (CA) 2005-10-20 US disclosed
EP-1517895-A1 8-(BIARYL) QUINOLINE PDE4 INHIBITORS MERCK FROSST CANADA INC. (CA) 2005-03-30 EP disclosed
US-20040176445-A1 Propionic acid derivatives BAYER PHARMACEUTICALS CORPORATION 2004-09-09 US disclosed
US-6750236-B2 CARDIOVASCULAR DISORDERS BAYER AKTIENGESELLSCHAFT (DE) 2004-06-15 US disclosed
WO-2004000814-A1 8-(BIARYL) QUINOLINE PDE4 INHIBITORS MERCK FROSST CANADA & CO. (CA) 2003-12-31 WO disclosed
US-20030187041-A1 Propionic acid derivatives URBAHNS KLAUS (DE) 2003-10-02 US disclosed
EP-1328508-A2 PROPIONIC ACID DERIVATIVES WITH PPAR-ALPHA ACTIVATING PROPERTIES Bayer Aktiengesellschaft (DE) 2003-07-23 EP disclosed
US-6548538-B2 Potent peroxisome proliferator activated receptor (PPAR)-alpha-activating compounds; propionic acid 2-subsituted with an N-(phenylaminocarbonylalkyl), N-(2-furanylmethyl)aminoalkylphenyl group BAYER AKTIENGESELLSCHAFT (DE) 2003-04-15 US disclosed
US-20030032671-A1 Propionic acid derivatives BAYER AKTIENGESELLSCHAFT (DE) 2003-02-13 US disclosed
WO-2002028821-A2 PROPIONIC ACID DERIVATIVES WITH PPAR-ALPHA ACTIVATING PROPERTIES BAYER AKTIENGESELLSCHAFT (DE) 2002-04-11 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 (4 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-20030187041-A1 Propionic acid derivatives PPARA, PPARD, PPARG CTSS 3347/4885CTSK 2742/4885SMN1; SMN2 4479/4885
US-20030032671-A1 Propionic acid derivatives PPARD, PPARA, PPARG CTSS 3843/4885CTSK 3094/4885SMN1; SMN2 4633/4885
US-20050234238-A1 8-(Biaryl)quinoline pde4 inhibitors IL4, PDE4A, PDE4C CTSS 572/4885CTSK 1325/4885SMN1; SMN2 509/4885
US-20040176445-A1 Propionic acid derivatives PPARD, PPARA, PPARG CTSS 3843/4885CTSK 3094/4885SMN1; SMN2 4633/4885

“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.