SCHEMBL19506428

SCHEMBL19506428

CCCCCCC(C)c1ccc(OC(F)(F)F)cc1

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PDE2A O00408 1/20 0.48
SLC2A1 P11166 2/20 0.43
SLC7A5 Q01650 3/20 0.42
HDAC1 Q13547 2/20 0.42
HDAC3 O15379 1/20 0.42
HDAC2 Q92769 1/20 0.42
ALDH1A1 P00352 2/20 0.40
TSHR P16473 1/20 0.37
LMNA P02545 1/20 0.36
LIPE Q05469 1/20 0.35
SLC6A2 P23975 1/20 0.35
SLC6A4 P31645 1/20 0.35
SLC6A3 Q01959 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
NOS3 P29474 1/20 0.35
NOS1 P29475 1/20 0.35
NOS2 P35228 1/20 0.35
EPHX1 P07099 1/20 0.35

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
SCHEMBL2093549 0.87 PDE2A (0.53) PDE2ASLC7A5HDAC1HDAC3HDAC2
SCHEMBL19506249 0.86 PDE2A (0.45) PDE2ASLC2A1SLC7A5HDAC1HDAC3
SCHEMBL19505338 0.84 PDE2A (0.44) PDE2ASLC2A1SLC7A5HDAC1HDAC3
SCHEMBL19506250 0.84 PDE2A (0.44) PDE2ASLC2A1SLC7A5HDAC1HDAC3
SCHEMBL19506041 0.84 PDE2A (0.46) PDE2ASLC2A1SLC7A5HDAC1HDAC3
SCHEMBL19505971 0.83 PDE2A (0.43) PDE2ASLC2A1SLC7A5HDAC1HDAC3
SCHEMBL19506288 0.83 NR1I2 (0.51) PDE2ASLC2A1SLC7A5HDAC1HDAC3
SCHEMBL1042394 0.83 PDE2A (0.45) PDE2ASLC7A5HDAC1HDAC3HDAC2
SCHEMBL1042393 0.83 PDE2A (0.45) PDE2ASLC7A5HDAC1HDAC3HDAC2
SCHEMBL2093775 0.83 PDE2A (0.45) PDE2ASLC7A5HDAC1HDAC3HDAC2

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220002284-A1 PESTICIDAL COMPOUNDS BASF SE (DE) 2022-01-06 US disclosed
US-10399933-B2 Inhibitors of indoleamine-2,3-dioxygenase for the treatment of cancer BRISTOL-MYERS SQUIBB COMPANY (US) 2019-09-03 US disclosed
US-20180193343-A1 IMIDAZO-PYRAZINYL DERIVATIVES USEFUL AS SOLUBLE GUANYLATE CYCLASE ACTIVATORS MERCK SHARP & DOHME CORP. (US) 2018-07-12 US disclosed
US-20180079784-A1 Substituted Urea Depsipeptide Analogs as Activators of the CLPP Endopeptidase ST.JUDE CHILDREN'S RESEARCH HOSPITAL 2018-03-22 US disclosed
US-20180072660-A1 INHIBITORS OF INDOLEAMINE-2,3-DIOXYGENASE FOR THE TREATMENT OF CANCER BRISTOL MYERS SQUIBB CO (US) 2018-03-15 US disclosed
US-20170313697-A1 PYRAZOLO[1,5-A]PYRIDINE COMPOUNDS AND USE THEREOF GUANGDONG GOOD MEDICINE AND HEALTH TECHNOLOGY CO., LTD (CN) 2017-11-02 US disclosed
US-20170304270-A1 ISOXAZOLE DERIVATIVES AS FXR AGONISTS AND METHODS OF USE THEREOF ENANTA PHARMACEUTICALS, INC. 2017-10-26 US disclosed
US-20170304271-A1 ISOXAZOLE DERIVATIVES AS FXR AGONISTS AND METHODS OF USE THEREOF ENANTA PHARMACEUTICALS, INC. 2017-10-26 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 (8 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-20170313697-A1 PYRAZOLO[1,5-A]PYRIDINE COMPOUNDS AND USE THEREOF ABCG2, ABCC1, PNPO PDE2A 440/4885SLC2A1 2455/4885SLC7A5 19/4885
US-20180079784-A1 Substituted Urea Depsipeptide Analogs as Activators of the CLPP Endopeptidase CLPP, PEPD, DNPEP PDE2A 1799/4885SLC2A1 2379/4885SLC7A5 2634/4885
US-20220002284-A1 PESTICIDAL COMPOUNDS NIT2, PNMT, THOP1 PDE2A 347/4885SLC2A1 3509/4885SLC7A5 1877/4885
US-20170304271-A1 ISOXAZOLE DERIVATIVES AS FXR AGONISTS AND METHODS OF USE THEREOF FXR1, SLC10A1, NR1H4 PDE2A 1064/4885SLC2A1 905/4885SLC7A5 1483/4885
US-20180193343-A1 IMIDAZO-PYRAZINYL DERIVATIVES USEFUL AS SOLUBLE GUANYLATE CYCLASE ACTIVATORS PDE3A, PRKG1, PDE2A PDE2A 3/4885SLC2A1 1760/4885SLC7A5 2644/4885
US-20170304270-A1 ISOXAZOLE DERIVATIVES AS FXR AGONISTS AND METHODS OF USE THEREOF SLC10A1, FXR1, NR1H4 PDE2A 1025/4885SLC2A1 848/4885SLC7A5 1412/4885
US-20180072660-A1 INHIBITORS OF INDOLEAMINE-2,3-DIOXYGENASE FOR THE TREATMENT OF CANCER IDO1, IDO2, INMT PDE2A 858/4885SLC2A1 1906/4885SLC7A5 3102/4885
US-10399933-B2 Inhibitors of indoleamine-2,3-dioxygenase for the treatment of cancer IDO1, IDO2, INMT PDE2A 858/4885SLC2A1 1906/4885SLC7A5 3102/4885

“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.