SCHEMBL944794

SCHEMBL944794

Fc1ccc(S(F)(F)(F)(F)F)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE2A O00408 4/20 0.44
CA1 P00915 2/20 0.40
CA2 P00918 2/20 0.40
CA7 P43166 1/20 0.40
CA9 Q16790 1/20 0.40
ACHE P22303 1/20 0.40
KDM1A O60341 1/20 0.39
IDO1 P14902 1/20 0.35
ORAI1 Q96D31 1/20 0.35
ORAI2 Q96SN7 1/20 0.35
ORAI3 Q9BRQ5 1/20 0.35
TRPV6 Q9H1D0 1/20 0.35
CES2 O00748 1/20 0.35
CES1 P23141 1/20 0.35
LOXL2 Q9Y4K0 1/20 0.35
HAO1 Q9UJM8 1/20 0.33
TAAR1 Q96RJ0 1/20 0.32
NFE2L2 Q16236 1/20 0.32
PTGS1 P23219 1/20 0.31
AKR1C3 P42330 1/20 0.31

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
SCHEMBL1970199 0.86 PDE2A (0.52) PDE2AKDM1AHAO1PTGS1AKR1C3
SCHEMBL17431619 0.84 NFE2L2 (0.56) NFE2L2PTGS1
SCHEMBL17431626 0.76 PDE2A (0.46) PDE2AKDM1AHAO1PTGS1AKR1C3
SCHEMBL12353987 0.75 CA1 (0.36) PDE2ACA1CA2CA7CA9
SCHEMBL4622815 0.73 CYP1A2 (0.52) PDE2ACA9
SCHEMBL2900759 0.71 PDE2A (0.42) PDE2AKDM1AIDO1HAO1PTGS1
SCHEMBL240645 0.71 MEN1 (0.50) PDE2AACHEKDM1ALOXL2TAAR1
SCHEMBL944658 0.71 LMNA (0.50) PDE2AKDM1AIDO1CES2CES1
SCHEMBL472361 0.71 PDE2A (0.42) PDE2ACA1CA2KDM1AHAO1
SCHEMBL21585264 0.71 PDE2A (0.48) PDE2AKDM1AHAO1PTGS1AKR1C3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113571775-B Carbonate electrolyte additive and application thereof 厦门大学 2023-02-14 CN claimed
CN-113571775-A Carbonate electrolyte additive and application thereof 厦门大学 2021-10-29 CN claimed
US-11820767-B2 Benzyl amine-containing heterocyclic compounds and compositions useful against mycobacterial infection UNIVERSITY OF NOTRE DAME DU LAC (US) 2023-11-21 US disclosed
US-11820767-B2 Benzyl amine-containing heterocyclic compounds and compositions useful against mycobacterial infection UNIVERSITY OF NOTRE DAME DU LAC (US) 2023-11-21 US disclosed
EP-3954387-B1 NOVEL COMPOUND HAVING PD-L1 EXPRESSION-SUPPRESSING ACTION UNIV TOHOKU (JP) 2023-11-08 EP disclosed
WO-2023204021-A1 COMPOUND, COMPOSITION, SURFACE TREATMENT AGENT, METHOD FOR MANUFACTURING ARTICLE, AND ARTICLE AGC株式会社 2023-10-26 WO disclosed
WO-2023204020-A1 COMPOUND, COMPOSITION, SURFACE TREATING AGENT, METHOD FOR PRODUCING ARTICLE, AND ARTICLE AGC株式会社 2023-10-26 WO disclosed
WO-2023146513-A1 COMPOUNDS AND METHODS OF USE THEREOF VIVACE THERAPEUTICS, INC. (US) 2023-08-03 WO disclosed
WO-2023146513-A1 COMPOUNDS AND METHODS OF USE THEREOF VIVACE THERAPEUTICS, INC. (US) 2023-08-03 WO disclosed
WO-2023146512-A1 COMPOUNDS AND METHODS OF USE THEREOF VIVACE THERAPEUTICS, INC. (US) 2023-08-03 WO disclosed
CN-116406231-A Molecules having certain pesticidal utility, and intermediates, compositions and methods related thereto 科迪华农业科技有限责任公司 2023-07-07 CN disclosed
US-7592491-B2 Process for producing arylsulfur pentafluorides IM&T RESEARCH, INC. (US) 2009-09-22 US disclosed
US-7592491-B2 Process for producing arylsulfur pentafluorides IM&T RESEARCH, INC. (US) 2009-09-22 US disclosed
WO-2008118787-A1 PROCESS FOR PRODUCING ARYLSULFUR PENTAFLUORIDES IM & T RESEARCH, INC. (US) 2008-10-02 WO disclosed
US-20080234520-A1 PROCESS FOR PRODUCING ARYLSULFUR PENTAFLUORIDES IM&T RESEARCH, INC. (US) 2008-09-25 US disclosed
US-20080234520-A1 PROCESS FOR PRODUCING ARYLSULFUR PENTAFLUORIDES IM&T RESEARCH, INC. (US) 2008-09-25 US disclosed
EP-0738713-B1 Process for the preparation of pesticidal 1-(chloroaryl)heterocyclic compounds RHONE POULENC AGROCHIMIE (FR) 2000-02-09 EP disclosed
US-5726324-A 1-(nitroaryl)pyrrole intermediates to pesticidal 1-(haloaryl)pyrroles RHONE-POULENC INC. (US) 1998-03-10 US disclosed
US-5631381-A Process for the preparation of pesticidal 1-(haloaryl) heterocyclic compounds RHONE-POULENC INC. (US) 1997-05-20 US disclosed
EP-0738713-A1 Process for the preparation of pesticidal 1-(haloaryl)heterocyclic compounds RHONE-POULENC AGROCHIMIE (FR) 1996-10-23 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 (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-11820767-B2 Benzyl amine-containing heterocyclic compounds and compositions useful against mycobacterial infection BET1, BRD4, BRD3 PDE2A 2367/4885CA1 4842/4885CA2 4753/4885
US-20080234520-A1 PROCESS FOR PRODUCING ARYLSULFUR PENTAFLUORIDES PFAS, MPST, ARSA PDE2A 4546/4885CA1 2632/4885CA2 3338/4885

“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.