SCHEMBL10249780

SCHEMBL10249780

COc1cccc(C(C)(C)C)c1F

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA2 P00918 5/20 0.42
CA1 P00915 4/20 0.42
CA7 P43166 3/20 0.42
CA9 Q16790 3/20 0.42
CA12 O43570 2/20 0.42
CA14 Q9ULX7 2/20 0.42
CA4 P22748 1/20 0.42
ALDH1A1 P00352 4/20 0.39
TP53 P04637 3/20 0.39
LMNA P02545 2/20 0.39
CYP3A4 P08684 2/20 0.39
HPGD P15428 2/20 0.39
ALOX15 P16050 2/20 0.39
MAPK1 P28482 2/20 0.39
KDM4E B2RXH2 1/20 0.39
MAPT P10636 1/20 0.39
ALOX12 P18054 1/20 0.39
HSD17B10 Q99714 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.36
GABRA1 P14867 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
SCHEMBL4511619 0.83 AR (0.44) CA2CA1CA7CA9CA12
SCHEMBL15604160 0.81 LMNA (0.39) CA2CA1CA7CA9CA12
SCHEMBL17037514 0.80 MPL (0.42) CA2ALDH1A1KDM4EGABRA1GABRB2
SCHEMBL29324775 0.80 CA2 (0.39) CA2ALDH1A1KDM4EHSD17B10GABRA1
SCHEMBL3531673 0.80 AR (0.39) CA2CA1CA7CA9CA12
SCHEMBL22827157 0.80 NR3C2 (0.41) ALDH1A1TP53LMNACYP3A4HPGD
SCHEMBL3537921 0.80 ERN1 (0.40) CA2CA1CA7CA9CA12
SCHEMBL20780640 0.79 CA2 (0.55) CA2ALDH1A1ALOX15KDM4EMAPT
SCHEMBL630768 0.79 CA1 (0.58) CA2CA1CA7CA9CA12
SCHEMBL13334873 0.79 L3MBTL1 (0.43) CA2ALDH1A1MAPK1KDM4EMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11820766-B2 Monoacylglycerol lipase modulators JANSSEN PHARMACEUTICA NV (BE) 2023-11-21 US disclosed
US-20230242531-A1 Monoacylglycerol Lipase Modulators JANSSEN PHARMACEUTICA NV (BE) 2023-08-03 US disclosed
US-20230242531-A1 Monoacylglycerol Lipase Modulators JANSSEN PHARMACEUTICA NV (BE) 2023-08-03 US disclosed
US-20230203061-A1 BRIDGED TRICYCLIC CARBAMOYLPYRIDONE COMPOUNDS AND THEIR PHARMACEUTICAL USE GILEAD SCIENCES, INC. 2023-06-29 US disclosed
US-20230145249-A1 Monoacylglycerol Lipase Modulators JANSSEN PHARMACEUTICA NV (BE) 2023-05-11 US disclosed
US-20230047816-A1 PFKFB3 INHIBITORS AND THEIR USES GERO PTE. LTD. (SG) 2023-02-16 US disclosed
US-20230027019-A1 BRIDGED TRICYCLIC CARBAMOYLPYRIDONE COMPOUNDS AND THEIR PHARMACEUTICAL USE GILEAD SCIENCES INC (US) 2023-01-26 US disclosed
US-11548902-B1 Bridged tricyclic carbamoylpyridone compounds and their pharmaceutical use GILEAD SCIENCES, INC. (US) 2023-01-10 US disclosed
US-11344539-B2 Therapeutic or prophylactic drug for dementia NATIONAL UNIVERSITY CORPORATION TOTTORI UNIVERSITY (JP) 2022-05-31 US disclosed
US-20220153729-A1 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS VERTEX PHARMACEUTICALS INCORPORATED (US) 2022-05-19 US disclosed
US-20090170824-A1 Diarylsulfones as 5-HT2A Antagonists CASTRO PINEIRO JOSE LUIS 2009-07-02 US disclosed
US-7468393-B2 Diarylsulfones as 5-HT2A antagonists MERCK SHARP & DOHME LTD. (GB) 2008-12-23 US disclosed
US-7468393-B2 Diarylsulfones as 5-HT2A antagonists MERCK SHARP & DOHME LTD. (GB) 2008-12-23 US disclosed
US-20080113985-A1 Modulators of ATP-binding cassette transporters VERTEX PHARMACEUTICALS INCORPORATED 2008-05-15 US disclosed
US-20080064719-A1 Crf Receptor Antagonists And Methods Relating Thereto SMITHKLINE BEECHAM (CORK) LIMITED (IE) 2008-03-13 US disclosed
US-20070287705-A1 Crf Receptor Antagonists and Methods Relating Thereto NEUROCRINE BIOSCIENCES, INC. 2007-12-13 US disclosed
US-20070203205-A1 Diarylsulfones as 5-HT2A antagonists MERCK SHARP & DOHME (UK) LIMITED (GB) 2007-08-30 US disclosed
US-20070203205-A1 Diarylsulfones as 5-HT2A antagonists MERCK SHARP & DOHME (UK) LIMITED (GB) 2007-08-30 US disclosed
US-7217740-B2 Diarylsulfones as 5-HT2A antagonists MERCK SHARP AND DOHME 2007-05-15 US disclosed
US-20070027321-A1 Bipyridyl amines and ethers as modulators of metabotropic glutamate receptor-5 MERCK SHARP & DOHME CORP. 2007-02-01 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 (15 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-20070203205-A1 Diarylsulfones as 5-HT2A antagonists HTR2A, HTR2B, HTR1A CA2 4755/4885CA1 4510/4885CA7 4867/4885
US-20230242531-A1 Monoacylglycerol Lipase Modulators MGLL, LPL, PNLIP CA2 4082/4885CA1 4510/4885CA7 4524/4885
US-20230047816-A1 PFKFB3 INHIBITORS AND THEIR USES PFKFB3, PFKFB4, PFKFB1 CA2 3036/4885CA1 3596/4885CA7 4124/4885
US-11344539-B2 Therapeutic or prophylactic drug for dementia XDH, DDO, PSEN1 CA2 878/4885CA1 196/4885CA7 1588/4885
US-20070287705-A1 Crf Receptor Antagonists and Methods Relating Thereto CRHR1, CRHR2, CRH CA2 1238/4885CA1 939/4885CA7 2174/4885
US-11548902-B1 Bridged tricyclic carbamoylpyridone compounds and their pharmaceutical use ZYX, CCNY, XDH CA2 1728/4885CA1 3843/4885CA7 2377/4885
US-20090170824-A1 Diarylsulfones as 5-HT2A Antagonists HTR2A, HTR2B, HTR1A CA2 4755/4885CA1 4510/4885CA7 4867/4885
US-20230203061-A1 BRIDGED TRICYCLIC CARBAMOYLPYRIDONE COMPOUNDS AND THEIR PHARMACEUTICAL USE ZYX, CCNY, XDH CA2 1728/4885CA1 3843/4885CA7 2377/4885
US-20230145249-A1 Monoacylglycerol Lipase Modulators MGLL, LPL, PNLIP CA2 4029/4885CA1 4396/4885CA7 4531/4885
US-20230027019-A1 BRIDGED TRICYCLIC CARBAMOYLPYRIDONE COMPOUNDS AND THEIR PHARMACEUTICAL USE ZYX, CCNY, XDH CA2 1728/4885CA1 3843/4885CA7 2377/4885
US-20080064719-A1 Crf Receptor Antagonists And Methods Relating Thereto CRHR1, CRHR2, SCTR CA2 1864/4885CA1 1240/4885CA7 2429/4885
US-20070027321-A1 Bipyridyl amines and ethers as modulators of metabotropic glutamate receptor-5 GRM5, GRIK5, GRM1 CA2 2940/4885CA1 3998/4885CA7 4710/4885
US-20220153729-A1 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS CFTR, ABCB1, ABCC2 CA2 2789/4885CA1 4884/4885CA7 4568/4885
US-20080113985-A1 Modulators of ATP-binding cassette transporters CFTR, ABCB1, ABCC2 CA2 2789/4885CA1 4884/4885CA7 4568/4885
US-11820766-B2 Monoacylglycerol lipase modulators MGLL, LPL, PNLIP CA2 4029/4885CA1 4396/4885CA7 4531/4885

“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.