SCHEMBL435755

SCHEMBL435755

CCC(C)c1ccc(C(F)(F)F)cc1

nearest known ligand 0.54

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PDE2A O00408 2/20 0.52
CA1 P00915 1/20 0.42
CA2 P00918 1/20 0.42
LMNA P02545 1/20 0.41
TP53 P04637 1/20 0.41
MAPT P10636 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
ALDH1A1 P00352 4/20 0.41
CYP2C9 P11712 1/20 0.41
TSHR P16473 1/20 0.41
USP2 O75604 1/20 0.40
GAA P10253 1/20 0.40
PKM P14618 1/20 0.40
HPGD P15428 1/20 0.40
ALOX15 P16050 1/20 0.40
HSD17B10 Q99714 1/20 0.40
CES2 O00748 1/20 0.40
CES1 P23141 1/20 0.40
MC4R P32245 1/20 0.40

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
SCHEMBL28347282 1.00 PDE2A (0.52) PDE2ACA1CA2LMNATP53
SCHEMBL13622230 1.00 PDE2A (0.52) PDE2ACA1CA2LMNATP53
SCHEMBL17149562 0.84 PDE2A (0.46) PDE2ACA1CA2ALDH1A1CES2
SCHEMBL2090318 0.83 PDE2A (0.49) PDE2ACA1CA2LMNATP53
SCHEMBL13137732 0.83 ALDH1A1 (0.42) PDE2ALMNATP53MAPTSMN1; SMN2
SCHEMBL12009320 0.82 PDE2A (0.43) PDE2AALDH1A1CYP2C9TSHRUSP2
SCHEMBL17175646 0.82 PDE2A (0.61) PDE2AALDH1A1CYP2C9TSHRUSP2
SCHEMBL792982 0.81 TAAR1 (0.54) PDE2ACA1CA2ALDH1A1CES2
SCHEMBL3669222 0.81 ALDH1A1 (0.51) PDE2ACA1CA2ALDH1A1CES2
SCHEMBL29331540 0.81 PDE2A (0.46) PDE2ACA1CA2CES2CES1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230381142-A1 ANTILEISHMANIAL COMPOUNDS, COMPOSITIONS AND USE THEREOF TRUSTEES OF BOSTON UNIVERSITY (US) 2023-11-30 US disclosed
US-20230203099-A1 CYCLOPHILIN INHIBITORS AND USES THEREOF FARSIGHT MEDICAL TECHNOLOGY (SHANGHAI) CO., LTD. (CN) 2023-06-29 US disclosed
US-20230151007-A1 SUBSTITUTED PYRIDOPYRIMIDINONYL COMPOUNDS USEFUL AS T CELL ACTIVATORS BRISTOL MYERS SQUIBB CO (US) 2023-05-18 US disclosed
US-20230137110-A1 ORGANIC ELECTROLUMINESCENT MATERIAL AND DEVICE THEREOF Beijing Summer Sprout Technology Co., Ltd. (CN) 2023-05-04 US disclosed
US-20230043159-A1 MATRIPTASE 2 INHIBITORS AND USES THEREOF DISC MEDICINE, INC. 2023-02-09 US disclosed
US-20220280488-A1 PHARMACEUTICALLY ACTIVE PYRAZOLO-PYRIDONE MODULATORS OF DCN1/2-MEDIATED CULLIN NEDDYLATION UNIVERSITY OF KENTUCKY RESEARCH FOUNDATION (US) 2022-09-08 US disclosed
US-20220251076-A1 Inhibitors of Beta-Hydoxylase for Treatment of Cancer MIDWESTERN UNIVERSITY 2022-08-11 US disclosed
US-11254686-B1 Compounds and methods for modulating adenosine A2B receptor and adenosine A2A receptor CORVUS PHARMACEUTICALS, INC. (US) 2022-02-22 US disclosed
US-20210088814-A1 OPTICAL FILTER WITH LIGHT SOURCE SWITCH MATERIALS, INC. (CA) 2021-03-25 US disclosed
US-20210032233-A1 Inhibitors of Beta-Hydroxylase for Treatment of Cancer MIDWESTERN UNIVERSITY 2021-02-04 US disclosed
US-20110193071-A1 RESIN COMPOSITION, GATE INSULATING LAYER, AND ORGANIC THIN FILM TRANSISTOR SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2011-08-11 US disclosed
US-20110183127-A1 COMPOSITION FOR IMPRINTS, PATTERN AND PATTERNING METHOD FUJIFILM CORPORATION (JP) 2011-07-28 US disclosed
US-20110082117-A1 PHENYL SULFONAMIDES AS MODULATORS OF ION CHANNELS VERTEX PHARMACEUTICALS INCORPORATED (US) 2011-04-07 US disclosed
WO-2011038163-A1 PYRIDO[3,4-B]INDOLES AND METHODS OF USE MEDIVATION TECHNOLOGIES, INC. (US) 2011-03-31 WO disclosed
EP-2287162-A1 Derivatives of 4-piperazin-1-yl-4-benzo[b]thiophene suitable for the treatment of cns disorders Otsuka Pharmaceutical Co., Ltd. (JP) 2011-02-23 EP disclosed
EP-2284169-A1 Derivatives of 4-piperazin-1-yl-4-benzo[b]thiophene suitable for the treatment of CNS disorders Otsuka Pharmaceutical Co., Limited (JP) 2011-02-16 EP disclosed
US-20100113487-A1 PYRIMIDINONE DERIVATIVES AND METHODS OF USE THEREOF MERCK SHARP & DOHME CORP. 2010-05-06 US disclosed
US-20100015554-A1 ACTINIC-RAY- OR RADIATION-SENSITIVE RESIN COMPOSITION AND METHOD OF FORMING PATTERN USING THE COMPOSITION FUJIFILM CORPORATION (JP) 2010-01-21 US disclosed
EP-1567464-B1 CATALYTIC HYDROGENERATION OF CARBON-HETEROATOM DOUBLE BONDS SOLVIAS AG (CH) 2007-04-18 EP disclosed
WO-2007026959-A2 DERIVATIVES OF 4-PIPERAZIN-1-YL-4-BENZ0 [B] THIOPHENE SUITABLE FOR THE TREATMENT OF CNS DISORDERS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2007-03-08 WO 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-20100113487-A1 PYRIMIDINONE DERIVATIVES AND METHODS OF USE THEREOF GPR119, GPR180, GPR17 PDE2A 365/4885CA1 4882/4885CA2 4340/4885
US-11254686-B1 Compounds and methods for modulating adenosine A2B receptor and adenosine A2A receptor ADORA2A, ADORA2B, ADORA3 PDE2A 266/4885CA1 2878/4885CA2 1563/4885
US-20220280488-A1 PHARMACEUTICALLY ACTIVE PYRAZOLO-PYRIDONE MODULATORS OF DCN1/2-MEDIATED CULLIN NEDDYLATION CUL1, CUL2, NEDD8 PDE2A 1629/4885CA1 3396/4885CA2 3990/4885
US-20230381142-A1 ANTILEISHMANIAL COMPOUNDS, COMPOSITIONS AND USE THEREOF MPO, SSB, SGMS2 PDE2A 1673/4885CA1 4735/4885CA2 3463/4885
US-20230137110-A1 ORGANIC ELECTROLUMINESCENT MATERIAL AND DEVICE THEREOF SLCO2B1, SLCO2A1, SLCO1B3 PDE2A 2936/4885CA1 4724/4885CA2 4622/4885
US-20210032233-A1 Inhibitors of Beta-Hydroxylase for Treatment of Cancer ASPH, CYP46A1, ALDH7A1 PDE2A 2585/4885CA1 1998/4885CA2 2695/4885
US-20110082117-A1 PHENYL SULFONAMIDES AS MODULATORS OF ION CHANNELS TRPV1, KCNJ2, TRPA1 PDE2A 1361/4885CA1 1156/4885CA2 164/4885
US-20220251076-A1 Inhibitors of Beta-Hydoxylase for Treatment of Cancer ASPH, HAGH, FAH PDE2A 3081/4885CA1 1163/4885CA2 1354/4885
US-20230203099-A1 CYCLOPHILIN INHIBITORS AND USES THEREOF PPIH, PPIF, PPIG PDE2A 386/4885CA1 1269/4885CA2 1902/4885
US-20230043159-A1 MATRIPTASE 2 INHIBITORS AND USES THEREOF MMP7, MATR3, SPINT2 PDE2A 1903/4885CA1 3224/4885CA2 2124/4885
US-20230151007-A1 SUBSTITUTED PYRIDOPYRIMIDINONYL COMPOUNDS USEFUL AS T CELL ACTIVATORS DGKZ, DGKA, DGKG PDE2A 1704/4885CA1 4766/4885CA2 3240/4885

“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.