SCHEMBL9967733

SCHEMBL9967733

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

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PDE2A O00408 7/20 0.43
AKR1C3 P42330 1/20 0.40
AKR1C2 P52895 1/20 0.40
KMO O15229 2/20 0.38
DAO P14920 1/20 0.38
TRPV3 Q8NET8 1/20 0.37
NOTUM Q6P988 1/20 0.37
P2RX7 Q99572 1/20 0.37
FAAH O00519 2/20 0.36
LMNA P02545 1/20 0.36
CYP2D6 P10635 1/20 0.36
CYP2C9 P11712 1/20 0.36
HIF1A Q16665 1/20 0.36
CNR1 P21554 1/20 0.36
PDK2 Q15119 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
SCHEMBL24720989 0.85 PTPN5 (0.49) PDE2AAKR1C3AKR1C2KMOFAAH
SCHEMBL2662302 0.84 AKR1C3 (0.47) AKR1C3AKR1C2NOTUMLMNA
SCHEMBL23627171 0.82 USP2 (0.41) PDE2AAKR1C3AKR1C2DAOTRPV3
SCHEMBL19542869 0.82 LMNA (0.38) LMNACYP2D6CYP2C9HIF1A
SCHEMBL13304198 0.81 LMNA (0.40) AKR1C3AKR1C2NOTUMLMNACYP2D6
SCHEMBL11630744 0.80 PDE2A (0.47) PDE2AAKR1C3AKR1C2KMODAO
SCHEMBL20032275 0.79 AKR1C3 (0.41) PDE2AAKR1C3AKR1C2KMODAO
SCHEMBL21124509 0.79 PDE2A (0.39) PDE2AAKR1C3AKR1C2KMODAO
SCHEMBL29009950 0.79 AKR1C3 (0.64) PDE2AAKR1C3AKR1C2
SCHEMBL11155086 0.78 AKR1C3 (0.49) PDE2AAKR1C3AKR1C2KMONOTUM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230399342-A1 TRICYCLIC TRIAZOLO COMPOUNDS AS DGK INHIBITORS INCYTE CORPORATION 2023-12-14 US disclosed
US-20230365531-A1 INHIBITORS OF HUMAN RESPIRATORY SYNCYTIAL VIRUS AND METAPNEUMO VIRUS MERCK SHARP & DOHME LLC (US) 2023-11-16 US disclosed
WO-2023220741-A1 ALPHA 4 BETA 7 INTEGRIN MODULATORS AND USES THEREOF DICE MOLECULES SV, INC. (US) 2023-11-16 WO disclosed
US-20230365531-A1 INHIBITORS OF HUMAN RESPIRATORY SYNCYTIAL VIRUS AND METAPNEUMO VIRUS MERCK SHARP & DOHME LLC (US) 2023-11-16 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
WO-2023109912-A1 3, 4-DIHYDROISOQUINOLIN-1 (2H) -ONES DERIVATIVES AS STING ANTAGONISTS AND THE USE THEREOF BEIGENE, LTD. (KY) 2023-06-22 WO 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-20230135560-A1 GEM-DISUBSTITUTED PIPERIDINE MELANOCORTIN SUBTYPE-2 RECEPTOR (MC2R) ANTAGONISTS AND USES THEREOF Crinetics Pharmaceuticals, Inc. 2023-05-04 US disclosed
US-7989472-B2 Glucagon receptor antagonist compounds, compositions containing such compounds and methods of use MERCK SHARP & DOHME CORP. (US) 2011-08-02 US disclosed
US-7935713-B2 Glucagon receptor antagonist compounds, compositions containing such compounds and methods of use MERCK SHARP & DOHME CORP. (US) 2011-05-03 US disclosed
US-7935713-B2 Glucagon receptor antagonist compounds, compositions containing such compounds and methods of use MERCK SHARP & DOHME CORP. (US) 2011-05-03 US disclosed
US-20090209564-A1 Glucagon Receptor Antagonist Compounds, Compositions Containing Such Compounds And Methods Of Use MERCK & CO., INC. 2009-08-20 US disclosed
US-20090209564-A1 Glucagon Receptor Antagonist Compounds, Compositions Containing Such Compounds And Methods Of Use MERCK & CO., INC. 2009-08-20 US disclosed
US-20090209556-A1 SOLUBLE GUANYLATE CYCLASE ACTIVATORS MERCK SHARP & DOHME CORP. 2009-08-20 US disclosed
US-20090105310-A1 Glucagon Receptor Antagonist Compounds, Compositions Containing Such Compounds and Methods of Use MERCK SHARP & DOHME LLC 2009-04-23 US disclosed
US-20090105310-A1 Glucagon Receptor Antagonist Compounds, Compositions Containing Such Compounds and Methods of Use MERCK SHARP & DOHME LLC 2009-04-23 US disclosed
US-7517884-B2 {5-[4-(4-Trifluoromethyl-phenyl)-piperazine-1-sulfonyl]-indan-2-yl}-acetic acid; peroxisome proliferator activated receptors modulator; antidiabetic, antiinflammatory agent; obesity, hyperinsulinemia, metabolic syndrome X, polycystic ovary syndrome, ischemia-associated organ injury, diabetes KALYPSYS INC. (US) 2009-04-14 US disclosed
US-20070135631-A1 HETEROCYCLIC CETP INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2007-06-14 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 (10 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 2592/4885AKR1C3 4638/4885AKR1C2 4697/4885
US-20230365531-A1 INHIBITORS OF HUMAN RESPIRATORY SYNCYTIAL VIRUS AND METAPNEUMO VIRUS METAP1, SARS1, RTF1 PDE2A 3732/4885AKR1C3 4367/4885AKR1C2 4606/4885
US-20090105310-A1 Glucagon Receptor Antagonist Compounds, Compositions Containing Such Compounds and Methods of Use GCGR, GLP1R, GPR119 PDE2A 438/4885AKR1C3 1645/4885AKR1C2 1275/4885
US-20070135631-A1 HETEROCYCLIC CETP INHIBITORS CETP, CES1, NPC1 PDE2A 2430/4885AKR1C3 549/4885AKR1C2 590/4885
US-20230295115-A1 SUBSTITUTED ISOQUINOLINYLMETHYL AMIDES, ANALOGUES THEREOF, AND METHODS USING SAME HCCS, HAVCR2, HDGF PDE2A 2250/4885AKR1C3 3872/4885AKR1C2 3768/4885
US-20230135560-A1 GEM-DISUBSTITUTED PIPERIDINE MELANOCORTIN SUBTYPE-2 RECEPTOR (MC2R) ANTAGONISTS AND USES THEREOF MC1R, MC3R, MC2R PDE2A 1028/4885AKR1C3 2598/4885AKR1C2 2658/4885
US-20090209564-A1 Glucagon Receptor Antagonist Compounds, Compositions Containing Such Compounds And Methods Of Use GCGR, GLP1R, GPR119 PDE2A 438/4885AKR1C3 1645/4885AKR1C2 1275/4885
US-20230192644-A1 PIPERIDINE-2,6-DIONES AS SMALL MOLECULE DEGRADERS OF HELIOS AND METHODS OF USE IKZF2, IKZF1, NUTF2 PDE2A 3723/4885AKR1C3 1669/4885AKR1C2 977/4885
US-20090209556-A1 SOLUBLE GUANYLATE CYCLASE ACTIVATORS GUCY1B1, GUCY1A2, GUCY1A1 PDE2A 6/4885AKR1C3 1400/4885AKR1C2 583/4885
US-20230399342-A1 TRICYCLIC TRIAZOLO COMPOUNDS AS DGK INHIBITORS DGKA, DGKI, DGKG PDE2A 1862/4885AKR1C3 2032/4885AKR1C2 1606/4885

“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.