SCHEMBL4792259

SCHEMBL4792259

CC(C)(C)c1ccc(C(F)(F)F)c(Cl)c1

nearest known ligand 0.51

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PDE2A O00408 5/20 0.51
RAPGEF3 O95398 6/20 0.44
KIF11 P52732 1/20 0.43
CYP2C19 P33261 1/20 0.40
ALDH1A1 P00352 1/20 0.39
HPGD P15428 1/20 0.39
ALOX15 P16050 1/20 0.39
HSD17B10 Q99714 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
NOTUM Q6P988 1/20 0.38
AR P10275 1/20 0.38
CES2 O00748 1/20 0.37
ACLY P53396 1/20 0.37
RAPGEF4 Q8WZA2 2/20 0.36
GABRA2 P47869 1/20 0.36
GABRB2 P47870 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
SCHEMBL10131666 0.85 PDE2A (0.43) PDE2ACYP2C19ALDH1A1HPGDALOX15
SCHEMBL3789260 0.85 PDE2A (0.56) PDE2AALDH1A1CES2
SCHEMBL1104686 0.83 IDO1 (0.44) RAPGEF3KIF11NOTUMARRAPGEF4
SCHEMBL8220063 0.83 PDE2A (0.60) PDE2AKIF11ALDH1A1ARCES2
SCHEMBL23207395 0.81 PDE2A (0.46) PDE2ARAPGEF3NOTUMARCES2
SCHEMBL11599290 0.81 TSHR (0.58) PDE2ARAPGEF3ALDH1A1TDP1NOTUM
SCHEMBL4792584 0.81 ALDH1A1 (0.47) PDE2ARAPGEF3ALDH1A1HPGDAR
SCHEMBL13171669 0.80 KIF11 (0.47) PDE2AKIF11CYP2C19ALDH1A1HPGD
SCHEMBL12773796 0.78 PDE2A (0.49) PDE2AKIF11CYP2C19ALDH1A1HPGD
SCHEMBL12773797 0.78 KIF11 (0.46) PDE2AKIF11CYP2C19ALDH1A1HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240239776-A1 AZASPIROCYCLES AS MONOACYLGLYCEROL LIPASE MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2024-07-18 US disclosed
US-20240239776-A1 AZASPIROCYCLES AS MONOACYLGLYCEROL LIPASE MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2024-07-18 US disclosed
US-20240228504-A1 SUBSTITUTED TRICYCLIC AMIDES, ANALOGUES THEREOF, AND METHODS USING SAME ARBUTUS BIOPHARMA CORPORATION (CA) 2024-07-11 US disclosed
US-20240025903-A1 Bicyclic Compounds and Uses Thereof for the Treatment of Diseases ATHIRA PHARMA, INC. (US) 2024-01-25 US disclosed
US-20240025903-A1 Bicyclic Compounds and Uses Thereof for the Treatment of Diseases ATHIRA PHARMA, INC. (US) 2024-01-25 US disclosed
US-20230295115-A1 SUBSTITUTED ISOQUINOLINYLMETHYL AMIDES, ANALOGUES THEREOF, AND METHODS USING SAME ARBUTUS BIOPHARMA CORP (CA) 2023-09-21 US disclosed
US-20230286922-A1 ANTIBIOTIC ADJUVANT COMPOUNDS UNIVERSITY OF NOTRE DAME DU LAC (US) 2023-09-14 US disclosed
US-20230286922-A1 ANTIBIOTIC ADJUVANT COMPOUNDS UNIVERSITY OF NOTRE DAME DU LAC (US) 2023-09-14 US disclosed
US-20230192644-A1 PIPERIDINE-2,6-DIONES AS SMALL MOLECULE DEGRADERS OF HELIOS AND METHODS OF USE DANA-FARBER CANCER INSTITUTE, INC. (US) 2023-06-22 US disclosed
US-20230051483-A1 BICYCLIC COMPOUNDS ALIGOS THERAPEUTICS, INC. 2023-02-16 US disclosed
US-20120276051-A1 INHIBITORS OF HEPATITIS C VIRUS PRESIDIO PHARMACEUTICALS, INC. (US) 2012-11-01 US disclosed
US-20120258946-A1 Substituted Phenylureas and Phenylamides as Vanilloid Receptor Ligands GRUENENTHAL GMBH (DE) 2012-10-11 US disclosed
US-20120258946-A1 Substituted Phenylureas and Phenylamides as Vanilloid Receptor Ligands GRUENENTHAL GMBH (DE) 2012-10-11 US disclosed
US-20120251497-A1 INHIBITORS OF HEPATITIS C VIRUS PRESIDIO PHARMACEUTICALS, INC. 2012-10-04 US disclosed
US-20120251497-A1 INHIBITORS OF HEPATITIS C VIRUS PRESIDIO PHARMACEUTICALS, INC. 2012-10-04 US disclosed
US-20120214769-A1 Novel Antagonists of the Glucagon Receptor METABASIS THERAPEUTICS, INC. (US) 2012-08-23 US disclosed
US-20120214769-A1 Novel Antagonists of the Glucagon Receptor METABASIS THERAPEUTICS, INC. (US) 2012-08-23 US disclosed
WO-2012058125-A1 INHIBITORS OF HEPATITIS C VIRUS PRESIDIO PHARMACEUTICALS, INC. (US) 2012-05-03 WO disclosed
US-7659307-B2 Nonphytotoxic; 4-Bromo-3-methoxy-N-4-[4(trifluoromethyl)phenoxy]phenyl-thiophene-2-carboxamide; 4-[(Allyloxycarbonyl)amino]-3-methoxy-N-4-[4-(trifluoromethyl)phenoxy]phenyl-thiophene-2-carboxamide BAYER CROPSCIENCE S.A. (FR) 2010-02-09 US disclosed
US-7659307-B2 Nonphytotoxic; 4-Bromo-3-methoxy-N-4-[4(trifluoromethyl)phenoxy]phenyl-thiophene-2-carboxamide; 4-[(Allyloxycarbonyl)amino]-3-methoxy-N-4-[4-(trifluoromethyl)phenoxy]phenyl-thiophene-2-carboxamide BAYER CROPSCIENCE S.A. (FR) 2010-02-09 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 (11 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-20230286922-A1 ANTIBIOTIC ADJUVANT COMPOUNDS MYD88, TLR5, TLR8 PDE2A 2592/4885RAPGEF3 2128/4885KIF11 4490/4885
US-20120276051-A1 INHIBITORS OF HEPATITIS C VIRUS HAVCR2, LIPC, HCCS PDE2A 2727/4885RAPGEF3 1718/4885KIF11 4009/4885
US-20230051483-A1 BICYCLIC COMPOUNDS SLC10A1, PKD1, CYP11B2 PDE2A 1440/4885RAPGEF3 3254/4885KIF11 1361/4885
US-20240239776-A1 AZASPIROCYCLES AS MONOACYLGLYCEROL LIPASE MODULATORS MGLL, LPL, LPAR1 PDE2A 574/4885RAPGEF3 1137/4885KIF11 2948/4885
US-20240228504-A1 SUBSTITUTED TRICYCLIC AMIDES, ANALOGUES THEREOF, AND METHODS USING SAME SLC10A1, NR1H4, SLC10A2 PDE2A 4231/4885RAPGEF3 4360/4885KIF11 2928/4885
US-20230295115-A1 SUBSTITUTED ISOQUINOLINYLMETHYL AMIDES, ANALOGUES THEREOF, AND METHODS USING SAME HCCS, HAVCR2, HDGF PDE2A 2250/4885RAPGEF3 1551/4885KIF11 4307/4885
US-20240025903-A1 Bicyclic Compounds and Uses Thereof for the Treatment of Diseases HDGF, HGF, BDNF PDE2A 3598/4885RAPGEF3 2110/4885KIF11 2879/4885
US-20120258946-A1 Substituted Phenylureas and Phenylamides as Vanilloid Receptor Ligands TRPV1, TRPV5, TRPV6 PDE2A 1559/4885RAPGEF3 1724/4885KIF11 3968/4885
US-20120214769-A1 Novel Antagonists of the Glucagon Receptor GLP1R, GCGR, GPR119 PDE2A 620/4885RAPGEF3 1194/4885KIF11 3579/4885
US-20230192644-A1 PIPERIDINE-2,6-DIONES AS SMALL MOLECULE DEGRADERS OF HELIOS AND METHODS OF USE IKZF2, IKZF1, NUTF2 PDE2A 3723/4885RAPGEF3 2634/4885KIF11 87/4885
US-20120251497-A1 INHIBITORS OF HEPATITIS C VIRUS HAVCR2, LIPC, HCCS PDE2A 2727/4885RAPGEF3 1718/4885KIF11 4009/4885

“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.