SCHEMBL849602

SCHEMBL849602

O=C(O)C1CCCC(C(F)(F)F)C1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BTK Q06187 1/20 0.41
ANPEP P15144 1/20 0.38
TSHR P16473 3/20 0.36
SLC6A1 P30531 2/20 0.36
SLC6A11 P48066 1/20 0.36
LMNA P02545 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
SLC6A13 Q9NSD5 1/20 0.36
EPHX2 P34913 1/20 0.36
GABRR1 P24046 1/20 0.34
OAT P04181 1/20 0.33
ACE P12821 1/20 0.33
MITF O75030 1/20 0.33
AKR1C3 P42330 1/20 0.32
AKR1C1 Q04828 1/20 0.32
GABRP O00591 1/20 0.32
GABRD O14764 1/20 0.32
GABRA1 P14867 1/20 0.32
GABRB1 P18505 1/20 0.32
GABRG2 P18507 1/20 0.32

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
SCHEMBL26620727 1.00 BTK (0.41) BTKANPEPTSHRSLC6A1SLC6A11
SCHEMBL25250387 1.00 BTK (0.41) BTKANPEPTSHRSLC6A1SLC6A11
SCHEMBL28493088 0.87 ACE (0.39) BTKTSHRSLC6A1SLC6A11LMNA
SCHEMBL4024160 0.83 MITF (0.33) MITFCES2CES1
SCHEMBL27932295 0.82 BTK (0.37) BTK
SCHEMBL3126066 0.82 KDM4E (0.38) MITFCES2CES1
SCHEMBL30726182 0.82 KDM4E (0.38) MITFCES2CES1
SCHEMBL15541922 0.82 KDM4E (0.38) MITFCES2CES1
Hydrochloric Acid SCHEMBL15542195 0.80 KDM4E (0.37) MITF
SCHEMBL23358995 0.80 OAT (0.38) TSHRLMNAGABRR1OATGABRP

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20250270216-A1 ANTI-INFECTIVE AGENTS UNIVERSITY OF DUNDEE (GB) 2025-08-28 US disclosed
EP-4514801-A1 ANTI-INFECTIVE AGENTS University Of Dundee (GB) 2025-03-05 EP disclosed
CN-119212998-A Anti-infective agents 邓迪大学 2024-12-27 CN disclosed
WO-2023209336-A1 ANTI-INFECTIVE AGENTS UNIVERSITY OF DUNDEE (GB) 2023-11-02 WO disclosed
US-20230322722-A1 MODULATORS OF MYC FAMILY PROTO-ONCOGENE PROTEIN NALO THERAPEUTICS (US) 2023-10-12 US disclosed
US-20230322722-A1 MODULATORS OF MYC FAMILY PROTO-ONCOGENE PROTEIN NALO THERAPEUTICS (US) 2023-10-12 US disclosed
US-20220026805-A1 RESIST COMPOSITION AND PATTERNING PROCESS SHIN-ETSU CHEMICAL CO., LTD. (JP) 2022-01-27 US disclosed
EP-3505171-A1 BICYCLIC NITROGENATED HETEROCYCLIC COMPOUND Mitsubishi Tanabe Pharma Corporation (JP) 2019-07-03 EP disclosed
US-20190185479-A1 BICYCLIC NITROGENATED HETEROCYCLIC COMPOUND MITSUBISHI TANABE PHARMA CORPORATION (JP) 2019-06-20 US disclosed
US-9487517-B2 Spiroimidazolone derivative CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2016-11-08 US disclosed
EP-1399439-B1 2-HETEROARYL-IMIDAZOTRIAZINONES AND THEIR USE IN THE TREATMENT OF INFLAMMATORY OR IMMUNE DISEASES BAYER HEALTHCARE AG (DE) 2006-06-14 EP disclosed
EP-1397363-B1 5-ETHYL-IMIDAZOTRIAZINONES BAYER HEALTHCARE AG (DE) 2005-05-11 EP disclosed
US-20040254187-A1 5-ethyl-imidazotriazinones BAYER HEALTHCARE AG (DE) 2004-12-16 US disclosed
EP-1399439-A1 2-HETEROARYL-IMIDAZOTRIAZINONES AND THEIR USE IN THE TREATMENT OF INFLAMMATORY OR IMMUNE DISEASES Bayer HealthCare AG (DE) 2004-03-24 EP disclosed
EP-1397363-A1 5-ETHYL-IMIDAZOTRIAZINONES Bayer HealthCare AG (DE) 2004-03-17 EP disclosed
WO-2002098880-A1 5-ETHYL-IMIDAZOTRIAZINONES BAYER HEALTHCARE AG (DE) 2002-12-12 WO disclosed
WO-2002098873-A1 2-HETEROARYL-IMIDAZOTRIAZINONES AND THEIR USE IN THE TREATMENT OF INFLAMMATORY OR IMMUNE DISEASES BAYER HEALTHCARE AG (DE) 2002-12-12 WO disclosed
US-4970328-A MITICIDE, FUNGICIDE BAYER AKTIENGESELLSCHAFT (DE) 1990-11-13 US disclosed
US-4929642-A MITICIDES, FUNGICIDES BAYER AKTIENGESELLSCHAFT (DE) 1990-05-29 US disclosed
EP-0300218-A1 Use of substituted 1,4-naphthoquinones against nites and fungi BAYER AG (DE) 1989-01-25 EP 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-20040254187-A1 5-ethyl-imidazotriazinones EPX, TPMT, IL5 BTK 1293/4885ANPEP 1319/4885TSHR 2163/4885
US-20250270216-A1 ANTI-INFECTIVE AGENTS ABCB11, TUBA3C, CLPP BTK 2114/4885ANPEP 1515/4885TSHR 4571/4885
US-20230322722-A1 MODULATORS OF MYC FAMILY PROTO-ONCOGENE PROTEIN MYC, MYCBP, MYCBP2 BTK 2234/4885ANPEP 3416/4885TSHR 3980/4885
US-20190185479-A1 BICYCLIC NITROGENATED HETEROCYCLIC COMPOUND PDE7B, PDE3A, PDE7A BTK 1207/4885ANPEP 334/4885TSHR 4597/4885

“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.