SCHEMBL108567

SCHEMBL108567

O=C(NCC(F)(F)F)c1ccccc1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.61
PRSS1 P07477 2/20 0.57
CTSG P08311 2/20 0.57
CTRB1 P17538 2/20 0.57
CMA1 P23946 2/20 0.57
NPC1 O15118 5/20 0.50
RAB9A P51151 5/20 0.50
SMN1; SMN2 Q16637 2/20 0.50
HDAC3 O15379 2/20 0.50
LMNA P02545 1/20 0.50
POLB P06746 1/20 0.50
MLYCD O95822 1/20 0.49
EPHX2 P34913 1/20 0.49
MAPT P10636 1/20 0.49
CA12 O43570 1/20 0.48
CA1 P00915 1/20 0.48
IDO1 P14902 1/20 0.48
ALOX15 P16050 1/20 0.48
HDAC1 Q13547 1/20 0.48
CA9 Q16790 1/20 0.48

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
SCHEMBL14636882 0.88 HTT (0.55) GAAPRSS1CTSGCTRB1CMA1
SCHEMBL12188582 0.86 EPHX2 (0.50) GAAPRSS1CTSGCTRB1CMA1
SCHEMBL28316775 0.85 PRSS1 (0.55) GAAPRSS1CTSGCTRB1CMA1
SCHEMBL16215582 0.85 GAA (0.57) GAAPRSS1CTSGCTRB1CMA1
SCHEMBL30914530 0.85 PRSS1 (0.63) GAAPRSS1CTSGCTRB1CMA1
SCHEMBL6673647 0.85 GAA (0.57) GAAPRSS1CTSGCTRB1CMA1
SCHEMBL16156086 0.85 PRSS1 (0.63) GAAPRSS1CTSGCTRB1CMA1
SCHEMBL15905185 0.84 LMNA (0.56) GAAPRSS1CTSGCTRB1CMA1
SCHEMBL22207618 0.83 GAA (0.55) GAAPRSS1CTSGCTRB1CMA1
SCHEMBL30739963 0.83 GAA (0.55) GAAPRSS1CTSGCTRB1CMA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4073043-B1 COMPOUNDS AND THEIR USE FOR THE TREATMENT OF ALPHA1-ANTITRYPSIN DEFICIENCY CENTESSA PHARMACEUTICALS UK LTD (GB) 2024-04-03 EP claimed
US-11524968-B2 Heterocyclic compound as a protein kinase inhibitor HK INNO.N CORPORATION (KR) 2022-12-13 US claimed
EP-3303291-A1 ROR GAMMA (ROR ) MODULATORS Lead Pharma Holding B.V. (NL) 2018-04-11 EP claimed
EP-3303290-A1 ROR GAMMA (RORY) MODULATORS Lead Pharma Holding B.V. (NL) 2018-04-11 EP claimed
CN-105121444-B Cyano ethyl Pyrazolopyridine ketone as the other than ring type of JANUS kinase inhibitors 默沙东公司 2018-02-16 CN claimed
WO-2016193459-A1 ROR GAMMA (RORY) MODULATORS LEAD PHARMA CEL MODELS IP B.V. (NL) 2016-12-08 WO claimed
WO-2016193452-A1 ROR GAMMA (RORγ) MODULATORS LEAD PHARMA CEL MODELS IP B.V. (NL) 2016-12-08 WO claimed
CN-103608350-B Triazolopyridine compounds BAYER INTELLECTUAL PROPERTY GMBH (DE) 2015-11-25 CN claimed
CN-103608350-A Triazolopyridine compounds BAYER IP GMBH 2014-02-26 CN claimed
EP-2507236-A1 TRIAZOLOPYRIDINE DERIVATIVES Bayer Intellectual Property GmbH (DE) 2012-10-10 EP claimed
EP-2280966-A1 AZABICYCLO [3.2.1]OCTYL DERIVATIVES AS 11 BETA-HSD1 MODULATORS Exelixis, Inc. (US) 2011-02-09 EP claimed
US-20100105675-A2 11 BETA-HSD1 MODULATORS EXELIXIS, INC. (US) 2010-04-29 US claimed
US-20090247515-A1 11 Beta-HSD1 Modulators EXELIXIS, INC. (US) 2009-10-01 US claimed
WO-2009114173-A1 AZABICYCLO [3. 2. I] OCTYL DERIVATIVES AS 11 BETA-HSDL MODULATORS EXELIXIS, INC. (US) 2009-09-17 WO claimed
WO-2007123853-A2 FIVE-MEMBERED HETEROCYCLIC INVERTEBRATE PEST CONTROL AGENTS E. I. DU PONT DE NEMOURS AND COMPANY (US) 2007-11-01 WO claimed
EP-1768960-A1 SULFONAMIDE DERIVATIVES F.HOFFMANN-LA ROCHE AG (CH) 2007-04-04 EP claimed
JP-2006528597-A 2006-12-21 JP claimed
EP-1658263-A1 NOVEL AMINOBENZOPHENONE COMPOUNDS Leo Pharma A/S (DK) 2006-05-24 EP claimed
WO-2006005486-A1 SULFONAMIDE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2006-01-19 WO claimed
WO-2005009940-A1 NOVEL AMINOBENZOPHENONE COMPOUNDS LEO PHARMA A/S (DK) 2005-02-03 WO claimed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (3 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-20100105675-A2 11 BETA-HSD1 MODULATORS HSD11B1, HSD11B2, HSD3B1 GAA 1314/4885PRSS1 141/4885CTSG 3909/4885
US-11524968-B2 Heterocyclic compound as a protein kinase inhibitor MAP3K20, MAP3K15, MAP3K1 GAA 2187/4885PRSS1 945/4885CTSG 4188/4885
US-20090247515-A1 11 Beta-HSD1 Modulators HSD11B1, HSD11B2, HSD3B1 GAA 1470/4885PRSS1 123/4885CTSG 3655/4885

“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.