Sugi Predict

Sugi Predict / Compounds / SCHEMBL4459204

SCHEMBL4459204

SCHEMBL4459204

O=C1c2ccccc2CC1(F)F

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NPSR1 Q6W5P4 2/20 0.50
▸ L3MBTL1 Q9Y468 2/20 0.50
▸ LMNA P02545 1/20 0.50
▸ HTT P42858 1/20 0.50
▸ HTR2A P28223 4/20 0.43
▸ HTR2C P28335 4/20 0.43
▸ HTR2B P41595 4/20 0.43
▸ SIGMAR1 Q99720 4/20 0.43
▸ MAOA P21397 3/20 0.41
▸ CES1 P23141 2/20 0.41
▸ ALDH1A1 P00352 2/20 0.41
▸ POLB P06746 1/20 0.41
▸ TDP2 O95551 1/20 0.39
▸ CASP3 P42574 1/20 0.39
▸ CASP7 P55210 1/20 0.39
▸ CASP9 P55211 1/20 0.39
▸ CASP6 P55212 1/20 0.39
▸ CASP8 Q14790 1/20 0.39
▸ MAP3K14 Q99558 1/20 0.39
▸ MAOB P27338 2/20 0.39

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
SCHEMBL28750465 0.79 L3MBTL1 (0.47) NPSR1L3MBTL1LMNAHTTHTR2A
SCHEMBL29237787 0.79 NPSR1 (0.47) NPSR1L3MBTL1LMNAHTTHTR2A
SCHEMBL29439422 0.79 SIGMAR1 (0.53) NPSR1L3MBTL1LMNAHTTHTR2A
SCHEMBL4461844 0.79 SIGMAR1 (0.53) NPSR1L3MBTL1LMNAHTTHTR2A
SCHEMBL11705043 0.79 SIGMAR1 (0.45) NPSR1L3MBTL1LMNAHTTHTR2A
SCHEMBL31599138 0.78 SIGMAR1 (0.51) NPSR1L3MBTL1LMNAHTTHTR2A
SCHEMBL11500029 0.78 SIGMAR1 (0.51) NPSR1L3MBTL1LMNAHTTHTR2A
SCHEMBL22993690 0.75 NPSR1 (0.47) NPSR1L3MBTL1LMNAHTTHTR2A
SCHEMBL15692839 0.75 ALDH1A1 (0.54) NPSR1L3MBTL1LMNAHTTHTR2A
SCHEMBL29237805 0.75 NPSR1 (0.44) NPSR1L3MBTL1LMNAHTTHTR2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4423069-A1 INHIBITORS OF HIF-2ALPHA AND METHODS OF USE THEREOF Arcus Biosciences, Inc. (US) 2024-09-04 — — EP disclosed
US-12071411-B2 Inhibitors of HIF-2α and methods of use thereof ARCUS BIOSCIENCES, INC. (US) 2024-08-27 — — US disclosed
US-20230159466-A1 INHIBITORS OF HIF-2ALPHA AND METHODS OF USE THEREOF ARCUS BIOSCIENCES, INC. 2023-05-25 — — US disclosed
WO-2023077046-A1 INHIBITORS OF HIF-2ALPHA AND METHODS OF USE THEREOF ARCUS BIOSCIENCES, INC. (US) 2023-05-04 — — WO disclosed
US-20180273573-A1 INHIBITORS OF MENAQUINONE BIOSYNTHESIS MEMORIAL SLOAN-KETTERING CANCER CENTER (US) 2018-09-27 — — US disclosed
EP-3356447-A1 INHIBITORS OF MENAQUINONE BIOSYNTHESIS Memorial Sloan-Kettering Cancer Center (US) 2018-08-08 — — EP disclosed
WO-2017059411-A9 INHIBITORS OF MENAQUINONE BIOSYNTHESIS MEMORIAL SLOAN-KETTERING CANCER CENTER (US) 2017-08-31 — — WO disclosed
WO-2017059411-A9 INHIBITORS OF MENAQUINONE BIOSYNTHESIS MEMORIAL SLOAN-KETTERING CANCER CENTER (US) 2017-08-31 — — WO disclosed
CN-104302626-B 4, 4-disubstituted-1, 4-dihydropyrimidines and their use as medicaments for the treatment of hepatitis b 爱尔兰詹森科学公司 2016-09-07 — — CN disclosed
EP-2800742-B1 4,4-DISUBSTITUTED-1,4-DIHYDROPYRIMIDINES AND THE USE THEREOF AS MEDICAMENTS FOR THE TREATMENT OF HEPATITIS B JANSSEN SCIENCES IRELAND UC (IE) 2016-04-06 — — EP disclosed
US-9233933-B2 4,4-disubstituted-1,4-dihydropyrimidines and the use thereof as medicaments for the treatment of hepatitis B JANSSEN SCIENCES IRELAND UC (IE) 2016-01-12 — — US disclosed
CN-104302626-A 4, 4-disubstituted-1, 4-dihydropyrimidines and their use as medicaments for the treatment of hepatitis b JANSSEN R & D IRELAND 2015-01-21 — — CN disclosed
US-20150005295-A1 4,4-DISUBSTITUTED-1,4-DIHYDROPYRIMIDINES AND THE USE THEREOF AS MEDICAMENTS FOR THE TREATMENT OF HEPATITIS B JANSSEN SCIENCES IRELAND UC (IE) 2015-01-01 — — US disclosed
EP-2800742-A1 4,4-DISUBSTITUTED-1,4-DIHYDROPYRIMIDINES AND THE USE THEREOF AS MEDICAMENTS FOR THE TREATMENT OF HEPATITIS B Janssen R&D Ireland (IE) 2014-11-12 — — EP disclosed
WO-2013102655-A1 4,4-DISUBSTITUTED-1,4-DIHYDROPYRIMIDINES AND THE USE THEREOF AS MEDICAMENTS FOR THE TREATMENT OF HEPATITIS B JANSSEN R&D IRELAND (IE) 2013-07-11 — — WO disclosed
WO-2009141096-A1 SUBSTITUTED SPIRO-ISOXAZOLINES BAYER CROPSCIENCE AG (DE) 2009-11-26 — — WO disclosed
US-6271421-B1 CONTACTING AN ALPHA-POLYBROMINATED KETONE WITH AN ALKALI METAL SULFITE IN THE PRESENCE OF A C2-C6 ALKYLCARBOXYLIC ACID TO OBTAIN A SELECTIVELY MONO-DEBROMINATED PRODUCT. MERCK & CO., INC. 2001-08-07 — — 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 (4 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-12071411-B2 Inhibitors of HIF-2α and methods of use thereof HIF1AN, HIF1A, EGLN2 NPSR1 3415/4885L3MBTL1 2536/4885LMNA 1844/4885
US-20230159466-A1 INHIBITORS OF HIF-2ALPHA AND METHODS OF USE THEREOF HIF1AN, HIF1A, EGLN2 NPSR1 3255/4885L3MBTL1 2992/4885LMNA 1635/4885
US-20150005295-A1 4,4-DISUBSTITUTED-1,4-DIHYDROPYRIMIDINES AND THE USE THEREOF AS MEDICAMENTS FOR THE TREATMENT OF HEPATITIS B CCNB1, HAVCR2, NR1H4 NPSR1 2915/4885L3MBTL1 3155/4885LMNA 1678/4885
US-20180273573-A1 INHIBITORS OF MENAQUINONE BIOSYNTHESIS COASY, SDHA, VKORC1 NPSR1 3704/4885L3MBTL1 3114/4885LMNA 1357/4885

“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.