SCHEMBL4611577

SCHEMBL4611577

COC(=O)c1ccc2c(c1)CNC2=O

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMYD3 Q9H7B4 1/20 0.53
PRF1 P14222 1/20 0.48
PTPRC P08575 1/20 0.47
CA12 O43570 2/20 0.45
CA9 Q16790 2/20 0.45
CA1 P00915 1/20 0.45
CA2 P00918 1/20 0.45
CA7 P43166 1/20 0.45
XDH P47989 1/20 0.45
CA14 Q9ULX7 1/20 0.45
KMT2A Q03164 1/20 0.45
CTDSP1 Q9GZU7 1/20 0.45
GSK3B P49841 2/20 0.44
DAPK3 O43293 1/20 0.44
NTRK1 P04629 1/20 0.44
PIM1 P11309 1/20 0.44
FLT3 P36888 1/20 0.44
ROCK1 Q13464 1/20 0.44
CLK4 Q9HAZ1 1/20 0.44
ALDH1A1 P00352 2/20 0.44

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
SCHEMBL31098601 1.00 SMYD3 (0.53) SMYD3PRF1PTPRCCA12CA9
SCHEMBL19474641 0.88 CLK4 (0.46) PTPRCCA12CA9CA1CA2
SCHEMBL30450993 0.88 CLK4 (0.46) PTPRCCA12CA9CA1CA2
SCHEMBL30336933 0.85 PRKACA (0.58) PTPRCKMT2AGSK3BGRM5PARP1
SCHEMBL12683051 0.85 PRKACA (0.58) PTPRCKMT2AGSK3BGRM5PARP1
SCHEMBL24502882 0.84 DAPK3 (0.41) SMYD3PRF1PTPRCKMT2ACTDSP1
SCHEMBL22169855 0.83 L3MBTL1 (0.45) SMYD3PRF1KMT2AALDH1A1SMN1; SMN2
SCHEMBL14683952 0.82 NPC1 (0.58) SMYD3PRF1CA12CA9KMT2A
SCHEMBL15759502 0.81 SMYD3 (0.60) SMYD3PRF1CA12CA9GSK3B
SCHEMBL14332678 0.80 SMYD3 (0.58) SMYD3PRF1PTPRCCA12CA9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240308989-A1 PYRAN DERIVATIVES AS CYP11A1 (CYTOCHROME P450 MONOOXYGENASE 11A1) INHIBITORS ORION CORP (FI) 2024-09-19 US disclosed
US-12030871-B2 Pyran dervatives as CYP11A1 (cytochrome P450 monooxygenase 11A1) inhibitors ORION CORPORATION (FI) 2024-07-09 US disclosed
CN-116162084-A Pyran derivatives as CYP11A1 inhibitors 奥赖恩公司 2023-05-26 CN disclosed
CN-110139861-B Pyran derivatives as CYP11A1 (cytochrome P450 monooxygenase 11A 1) inhibitors 奥赖恩公司 2022-12-30 CN disclosed
US-11285103-B2 Degradable hydrogel under physiological conditions HAN JIE (CN) 2022-03-29 US disclosed
US-20210347765-A1 PYRAN DERVATIVES AS CYP11A1 (CYTOCHROME P450 MONOOXYGENASE 11A1) INHIBITORS ORION CORPORATION 2021-11-11 US disclosed
CN-113563245-A Substituted pyrrolidine compounds and application thereof in medicines 广东东阳光药业有限公司 2021-10-29 CN disclosed
EP-3558981-B1 PYRAN DERIVATIVES AS CYP11A1 (CYTOCHROME P450 MONOOXYGENASE 11A1) INHIBITORS ORION CORP (FI) 2021-05-26 EP disclosed
US-20200299280-A1 PYRAN DERVATIVES AS CYP11A1 (CYTOCHROME P450 MONOOXYGENASE 11A1) INHIBITORS ORION CORP (FI) 2020-09-24 US disclosed
US-20200291086-A1 BIOREVERSABLE PROMOIETIES FOR NITROGEN-CONTAINING AND HYDROXYL-CONTAINING DRUGS Han, Jie (US) 2020-09-17 US disclosed
US-20130157996-A1 TRPM8 ANTAGONISTS AND THEIR USE IN TREATMENTS AMGEN INC. (US) 2013-06-20 US disclosed
US-20130157996-A1 TRPM8 ANTAGONISTS AND THEIR USE IN TREATMENTS AMGEN INC. (US) 2013-06-20 US disclosed
US-20130157996-A1 TRPM8 ANTAGONISTS AND THEIR USE IN TREATMENTS AMGEN INC. (US) 2013-06-20 US disclosed
WO-2013018735-A1 AMIDINE COMPOUND OR SALT THEREOF 大正製薬株式会社 (JP) 2013-02-07 WO disclosed
WO-2012177893-A2 TRPM8 ANTAGONISTS AND THEIR USE IN TREATMENTS AMGEN INC. (US) 2012-12-27 WO disclosed
WO-2012177893-A2 TRPM8 ANTAGONISTS AND THEIR USE IN TREATMENTS AMGEN INC. (US) 2012-12-27 WO disclosed
CN-101309690-A Chemokine receptor binding compounds ANORMED INC (CA) 2008-11-19 CN disclosed
EP-1924265-A2 CHEMOKINE RECEPTOR BINDING COMPOUNDS Genzyme Corporation (US) 2008-05-28 EP disclosed
US-20070066624-A1 Chemokine receptor binding compounds ANORMED, INC. (CA) 2007-03-22 US disclosed
WO-2007022371-A2 CHEMOKINE RECEPTOR BINDING COMPOUNDS GENZYME CORPORATION (US) 2007-02-22 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 (8 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-11285103-B2 Degradable hydrogel under physiological conditions PTMS, TRHDE, PHYKPL SMYD3 3890/4885PRF1 3471/4885PTPRC 2324/4885
US-20210347765-A1 PYRAN DERVATIVES AS CYP11A1 (CYTOCHROME P450 MONOOXYGENASE 11A1) INHIBITORS CYP11B1, CYP11B2, CYP4A11 SMYD3 4326/4885PRF1 2483/4885PTPRC 2227/4885
US-12030871-B2 Pyran dervatives as CYP11A1 (cytochrome P450 monooxygenase 11A1) inhibitors CYP11B1, CYP11B2, CYP4A11 SMYD3 4326/4885PRF1 2483/4885PTPRC 2227/4885
US-20070066624-A1 Chemokine receptor binding compounds CCR5, CCR4, CCR1 SMYD3 3838/4885PRF1 447/4885PTPRC 97/4885
US-20240308989-A1 PYRAN DERIVATIVES AS CYP11A1 (CYTOCHROME P450 MONOOXYGENASE 11A1) INHIBITORS CYP11B1, CYP11B2, CYP4A11 SMYD3 4381/4885PRF1 2347/4885PTPRC 2227/4885
US-20130157996-A1 TRPM8 ANTAGONISTS AND THEIR USE IN TREATMENTS TRPM8, TRPM7, TRPM5 SMYD3 3884/4885PRF1 1946/4885PTPRC 3613/4885
US-20200299280-A1 PYRAN DERVATIVES AS CYP11A1 (CYTOCHROME P450 MONOOXYGENASE 11A1) INHIBITORS CYP11B1, CYP11B2, CYP4A11 SMYD3 4326/4885PRF1 2483/4885PTPRC 2227/4885
US-20200291086-A1 BIOREVERSABLE PROMOIETIES FOR NITROGEN-CONTAINING AND HYDROXYL-CONTAINING DRUGS NOS2, EGLN2, HPGD SMYD3 2309/4885PRF1 2007/4885PTPRC 4534/4885

“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.