Sugi Predict

Sugi Predict / Compounds / SCHEMBL6124792

SCHEMBL6124792

SCHEMBL6124792

COc1cc(C(C)C)cnc1C(C)C

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ HDAC4 P56524 1/20 0.42
▸ HDAC8 Q9BY41 1/20 0.42
▸ HPGD P15428 2/20 0.35
▸ XBP1 P17861 1/20 0.35
▸ ALDH1A1 P00352 3/20 0.34
▸ SMN1; SMN2 Q16637 2/20 0.34
▸ KDM4E B2RXH2 1/20 0.34
▸ P2RX3 P56373 2/20 0.34
▸ P2RX2 Q9UBL9 2/20 0.34
▸ SMPD3 Q9NY59 1/20 0.34
▸ FGFR2 P21802 1/20 0.34
▸ TSHR P16473 1/20 0.34
▸ CYP17A1 P05093 1/20 0.33
▸ EGFR P00533 1/20 0.33
▸ ERBB2 P04626 1/20 0.33
▸ ACVR2A P27037 1/20 0.33
▸ TGFBR2 P37173 1/20 0.33
▸ CRHR1 P34998 1/20 0.33

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
SCHEMBL12301335 0.82 CA12 (0.40) HDAC4HDAC8HPGDALDH1A1SMN1; SMN2
SCHEMBL8737264 0.80 HDAC4 (0.38) HDAC4HDAC8HPGDALDH1A1SMN1; SMN2
SCHEMBL12248264 0.80 ACHE (0.40) HDAC4HDAC8ALDH1A1SMN1; SMN2KDM4E
SCHEMBL799306 0.80 PIK3CA (0.38) HDAC4HDAC8ALDH1A1P2RX3P2RX2
SCHEMBL23510806 0.78 P2RX3 (0.40) ALDH1A1KDM4EP2RX3P2RX2TSHR
SCHEMBL10141676 0.78 ALDH1A1 (0.38) HDAC4HDAC8HPGDALDH1A1SMN1; SMN2
SCHEMBL10080963 0.78 P2RX3 (0.43) P2RX3P2RX2
SCHEMBL30418762 0.78 RAB9A (0.37) HDAC4HDAC8ALDH1A1SMN1; SMN2P2RX3
SCHEMBL21442344 0.78 PDGFRB (0.38) HDAC4HDAC8ALDH1A1P2RX3P2RX2
SCHEMBL25186955 0.78 RAB9A (0.37) HDAC4HDAC8ALDH1A1SMN1; SMN2P2RX3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240239772-A1 PROTEASE INHIBITORS AND METHODS OF USE THE CLEVELAND CLINIC FOUNDATION 2024-07-18 — — US disclosed
WO-2023220129-A1 BENZOYPARAZINE PYRAZINES ANE THEIR USES FOGHORN THERAPEUTICS INC. (US) 2023-11-16 — — WO disclosed
WO-2023220134-A1 PYRAZINE DERIVATIVES AND USES THEREOF FOGHORN THERAPEUTICS INC. (US) 2023-11-16 — — WO disclosed
WO-2023220137-A1 PYRAZINE DERIVATIVES AND USES THEREOF FOGHORN THERAPEUTICS INC. (US) 2023-11-16 — — WO disclosed
US-11773077-B2 Compounds containing carbon-carbon linker as GPR120 agonists Piramal Enterprises Limited (IN) 2023-10-03 — — US disclosed
US-20230173078-A1 SMARCA DEGRADERS AND USES THEREOF KYMERA THERAPEUTICS, INC. 2023-06-08 — — US disclosed
US-20230173078-A1 SMARCA DEGRADERS AND USES THEREOF KYMERA THERAPEUTICS, INC. 2023-06-08 — — US disclosed
US-20230140047-A1 1H-PYRAZOLO[4,3-d]PYRIMIDINE COMPOUNDS AS TOLL-LIKE RECEPTOR 7 (TLR7) AGONISTS AND METHODS AND USES THEREFOR BRISTOL-MYERS SQUIBB COMPANY 2023-05-04 — — US disclosed
US-20230140047-A1 1H-PYRAZOLO[4,3-d]PYRIMIDINE COMPOUNDS AS TOLL-LIKE RECEPTOR 7 (TLR7) AGONISTS AND METHODS AND USES THEREFOR BRISTOL-MYERS SQUIBB COMPANY 2023-05-04 — — US disclosed
WO-2023278402-A1 SMARCA DEGRADERS AND USES THEREOF KYMERA THERAPEUTICS, INC. (US) 2023-01-05 — — WO disclosed
US-8759337-B2 Gamma secretase modulators MERCK SHARP & DOHME CORP. (US) 2014-06-24 — — US disclosed
US-8450343-B2 Gamma secretase modulators SCHERING CORPORATION 2013-05-28 — — US disclosed
US-20120238546-A1 GAMMA SECRETASE MODULATORS SCHERING CORPORATION 2012-09-20 — — US disclosed
US-20120135980-A1 GAMMA SECRETASE MODULATORS SCHERING CORPORATION 2012-05-31 — — US disclosed
US-20120129846-A1 GAMMA SECRETASE MODULATORS Merck, Sharp & Dohme, Corp. 2012-05-24 — — US disclosed
US-20120129846-A1 GAMMA SECRETASE MODULATORS Merck, Sharp & Dohme, Corp. 2012-05-24 — — US disclosed
US-20120107328-A1 GAMMA SECRETASE MODULATORS MERCK SHARP & DOHME CORP. 2012-05-03 — — US disclosed
US-20110306593-A1 GAMMA SECRETASE MODULATORS MERCK SHARP & DOHME LLC 2011-12-15 — — US disclosed
US-20110294784-A1 GAMMA SECRETASE MODULATORS MERCK SHARP & DOHME LLC 2011-12-01 — — US disclosed
US-20110015190-A1 GAMMA SECRETASE MODULATORS SCHERING CORPORATION 2011-01-20 — — 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 (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-11773077-B2 Compounds containing carbon-carbon linker as GPR120 agonists GPR180, GPR68, GPR88 HDAC4 3223/4885HDAC8 2912/4885HPGD 775/4885
US-20230140047-A1 1H-PYRAZOLO[4,3-d]PYRIMIDINE COMPOUNDS AS TOLL-LIKE RECEPTOR 7 (TLR7) AGONISTS AND METHODS AND USES THEREFOR TLR7, TLR1, TLR9 HDAC4 1377/4885HDAC8 419/4885HPGD 1517/4885
US-20120107328-A1 GAMMA SECRETASE MODULATORS BACE1, BACE2, PSEN1 HDAC4 968/4885HDAC8 914/4885HPGD 1744/4885
US-20110294784-A1 GAMMA SECRETASE MODULATORS BACE1, BACE2, GSAP HDAC4 1254/4885HDAC8 1396/4885HPGD 1842/4885
US-20120135980-A1 GAMMA SECRETASE MODULATORS BACE1, BACE2, GSAP HDAC4 1254/4885HDAC8 1396/4885HPGD 1842/4885
US-20120129846-A1 GAMMA SECRETASE MODULATORS BACE1, BACE2, PSEN1 HDAC4 1387/4885HDAC8 1034/4885HPGD 2033/4885
US-20110306593-A1 GAMMA SECRETASE MODULATORS BACE1, BACE2, PSEN1 HDAC4 1038/4885HDAC8 933/4885HPGD 2232/4885
US-20230173078-A1 SMARCA DEGRADERS AND USES THEREOF SMARCA1, SMARCA2, SMARCC2 HDAC4 480/4885HDAC8 395/4885HPGD 2691/4885
US-20120238546-A1 GAMMA SECRETASE MODULATORS BACE1, BACE2, PSEN1 HDAC4 948/4885HDAC8 861/4885HPGD 1694/4885
US-20240239772-A1 PROTEASE INHIBITORS AND METHODS OF USE ACE2, ACE, TMPRSS2 HDAC4 1540/4885HDAC8 1290/4885HPGD 1616/4885
US-20110015190-A1 GAMMA SECRETASE MODULATORS BACE1, BACE2, PSEN1 HDAC4 1007/4885HDAC8 1082/4885HPGD 2475/4885

“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.