SCHEMBL4020070

SCHEMBL4020070

FC(F)(F)c1ccc(C(F)(F)F)c(I)c1

nearest known ligand 0.50

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CES2 O00748 2/20 0.50
PTPN5 P54829 1/20 0.39
METAP2 P50579 1/20 0.38
PDE2A O00408 2/20 0.38
TSHR P16473 2/20 0.37
MAPK1 P28482 1/20 0.37
TMPRSS4 Q9NRS4 1/20 0.36
ALDH1A1 P00352 3/20 0.35
KIF11 P52732 3/20 0.34
NOS3 P29474 1/20 0.34
NOS2 P35228 1/20 0.34
KDM4E B2RXH2 2/20 0.34
PKM P14618 1/20 0.34
BACE1 P56817 1/20 0.34
GPR3 P46089 1/20 0.34
HPGD P15428 1/20 0.34
HSD17B10 Q99714 1/20 0.34

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
SCHEMBL29890669 1.00 CES2 (0.50) CES2PTPN5METAP2PDE2ATSHR
SCHEMBL7630799 0.81 CES2 (0.50) CES2PTPN5TSHRMAPK1ALDH1A1
SCHEMBL7863217 0.80 PTPN5 (0.41) CES2PTPN5METAP2TSHRMAPK1
SCHEMBL3842171 0.78 GLA (0.33) CES2TSHRKIF11
SCHEMBL6061078 0.77 CES2 (0.56) CES2PTPN5PDE2ATSHRMAPK1
SCHEMBL18313286 0.76 IDO1 (0.41) CES2TSHRKIF11
SCHEMBL319516 0.76 IDO1 (0.44) CES2PTPN5PDE2ATSHRMAPK1
SCHEMBL31348270 0.76 IDO1 (0.44) CES2PTPN5PDE2ATSHRMAPK1
SCHEMBL31371267 0.76 PTPN5 (0.39) CES2PTPN5METAP2TSHRMAPK1
SCHEMBL12115135 0.74 PTPN5 (0.38) CES2PTPN5METAP2TSHRMAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050059692-A1 Process for the preparation of 17beta-N-[2,5-bis(trifluoromethyl)phenyl] carbamoyl-4-aza-5-alpha-androst-1-en-3-one DR. REDDY'S LABORATORIES LIMITED 2005-03-17 US claimed
US-4079090-A Preparation of trichloromethyl-trifluoro methyl-benzenes BAYER AKTIENGESELLSCHAFT (DT) 1978-03-14 US claimed
EP-3681928-B1 PROCESS OF MANUFACTURING POLYOLS DOW GLOBAL TECHNOLOGIES LLC (US) 2024-05-01 EP disclosed
WO-2023147244-A1 POLYURETHANE ADHESIVE DOW GLOBAL TECHNOLOGIES LLC (US) 2023-08-03 WO disclosed
US-11376241-B2 Aryl hydrocarbon receptor (AhR) modulator compounds PHENEX PHARMACEUTICALS AG (DE) 2022-07-05 US disclosed
WO-2022086946-A1 POLYURETHANE COMPOSITION DOW GLOBAL TECHNOLOGIES LLC (US) 2022-04-28 WO disclosed
EP-3681932-B1 LEWIS ACID POLYMERIZATION CATALYST DOW GLOBAL TECHNOLOGIES LLC (US) 2021-06-09 EP disclosed
US-10981908-B2 Aryl hydrocarbon receptor (AHR) modulator compounds PHENEX PHARMACEUTICALS AG (DE) 2021-04-20 US disclosed
EP-3577112-B1 ARYL HYDROCARBON RECEPTOR (AHR) MODULATOR COMPOUNDS PHENEX PHARMACEUTICALS AG (DE) 2020-12-30 EP disclosed
EP-3577115-B1 ARYL HYDROCARBON RECEPTOR (AHR) MODULATOR COMPOUNDS PHENEX PHARMACEUTICALS AG (DE) 2020-12-02 EP disclosed
WO-2019055734-A1 PROCESS OF MANUFACTURING POLYOLS DOW GLOBAL TECHNOLOGIES LLC (US) 2019-03-21 WO disclosed
US-20070173523-A1 Process for the preparation of 17-N-substituted-carbamoyl-4-aza-androst-1-en-3-ones APOTEX PHARMACHEM INC. (CA) 2007-07-26 US disclosed
US-20050059692-A1 Process for the preparation of 17beta-N-[2,5-bis(trifluoromethyl)phenyl] carbamoyl-4-aza-5-alpha-androst-1-en-3-one DR. REDDY'S LABORATORIES LIMITED 2005-03-17 US disclosed
US-20020042541-A1 Process for producing bis( trifluoromethyl)benzaldehyde CENTRAL GLASS COMPANY, LIMITED (JP) 2002-04-11 US disclosed
US-6326517-B1 REACTIN AN AROMATIC COMPOUND WITH CARBON MONOXIDE AND AMMONIA CENTRAL GLASS COMPANY, LIMITED (JP) 2001-12-04 US disclosed
US-6268527-B1 REACTING TRIFLUOROMETHYL SUBSTITUTED AROMATIC COMPOUND WITH CARBON MONOXIDE AND HYDROXY COMPOUND IN PRESENCE OF METAL COMPOUND AND PHOSPHINE DERIVATIVE TO PRODUCE TRIFLUOROMETHYL SUBSTITUTED BENZOIC ACID DERIVATIVE CENTRAL GLASS COMPANY, LIMITED (JP) 2001-07-31 US disclosed
EP-0383621-B1 Diphenyldiacetylene derivative TODA KOGYO CORP (JP) 1993-12-08 EP disclosed
US-5196586-A Polydiphenyldiacetylenes TODA KOGYO CORP. (JP) 1993-03-23 US disclosed
EP-0383621-A1 Diphenyldiacetylene derivative TODA KOGYO CORP. (JP) 1990-08-22 EP disclosed
US-4079090-A Preparation of trichloromethyl-trifluoro methyl-benzenes BAYER AKTIENGESELLSCHAFT (DT) 1978-03-14 US 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 (5 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-20070173523-A1 Process for the preparation of 17-N-substituted-carbamoyl-4-aza-androst-1-en-3-ones CYP17A1, CYP19A1, NR5A1 CES2 1262/4885PTPN5 2877/4885METAP2 4335/4885
US-10981908-B2 Aryl hydrocarbon receptor (AHR) modulator compounds AHR, ARNT, NR1H2 CES2 2258/4885PTPN5 1190/4885METAP2 1253/4885
US-20020042541-A1 Process for producing bis( trifluoromethyl)benzaldehyde BRPF1, PFAS, FLI1 CES2 1070/4885PTPN5 1516/4885METAP2 1804/4885
US-11376241-B2 Aryl hydrocarbon receptor (AhR) modulator compounds AHR, ARNT, NR1H2 CES2 2258/4885PTPN5 1190/4885METAP2 1253/4885
US-20050059692-A1 Process for the preparation of 17beta-N-[2,5-bis(trifluoromethyl)phenyl] carbamoyl-4-aza-5-alpha-androst-1-en-3-one NR5A1, CYP17A1, CYP19A1 CES2 861/4885PTPN5 1433/4885METAP2 4092/4885

“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.