Sugi Predict

Sugi Predict / Compounds / SCHEMBL2219015

SCHEMBL2219015

SCHEMBL2219015

C=C(CO[Si](C)(C)C(C)(C)C)C(=O)OCC

nearest known ligand 0.38

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 4/20 0.38
▸ TSHR P16473 1/20 0.38
▸ DRD2 P14416 1/20 0.34
▸ THRB P10828 1/20 0.33
▸ MAPT P10636 1/20 0.33
▸ NPSR1 Q6W5P4 1/20 0.32
▸ GLO1 Q04760 1/20 0.32
▸ XPO1 O14980 1/20 0.30
▸ NPC1 O15118 1/20 0.30
▸ RAB9A P51151 1/20 0.30
▸ LMNA P02545 1/20 0.30
▸ HSD17B10 Q99714 1/20 0.30
▸ EGLN1 Q9GZT9 1/20 0.30
▸ CYP2D6 P10635 1/20 0.30
▸ CYP2C19 P33261 1/20 0.30

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
SCHEMBL17023657 0.83 ALDH1A1 (0.44) ALDH1A1TSHRTHRBMAPTNPSR1
SCHEMBL10643992 0.82 DRD2 (0.32) ALDH1A1TSHRDRD2
SCHEMBL4056561 0.82 CTDSP1 (0.34) ALDH1A1TSHRDRD2MAPTNPSR1
SCHEMBL25400260 0.82 ALDH1A1 (0.40) ALDH1A1
SCHEMBL26664721 0.81 BTN3A1 (0.32) —
SCHEMBL6220404 0.78 GAA (0.43) ALDH1A1TSHRDRD2MAPTNPSR1
SCHEMBL2329836 0.78 TET2 (0.39) —
SCHEMBL31379463 0.78 GLO1 (0.34) ALDH1A1TSHRMAPTNPSR1GLO1
SCHEMBL19755024 0.78 GLO1 (0.34) ALDH1A1TSHRMAPTNPSR1GLO1
SCHEMBL21744787 0.77 GLO1 (0.33) ALDH1A1MAPTNPSR1GLO1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180179443-A1 POLYMERIZABLE POLAR COMPOUND, LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY DEVICE JNC CORPORATION (JP) 2018-06-28 — — US disclosed
US-20170369418-A1 POLYMERIZABLE POLAR COMPOUND, LIQUID CRYSTAL COMPOSITION, AND LIQUID CRYSTAL DISPLAY ELEMENT JNC CORPORATION (JP) 2017-12-28 — — US disclosed
EP-3257839-A1 POLYMERIZABLE POLAR COMPOUND, LIQUID CRYSTAL COMPOSITION, AND LIQUID CRYSTAL DISPLAY ELEMENT JNC Corporation (JP) 2017-12-20 — — EP disclosed
US-9340493-B2 Hydroxamic acid derivatives useful as antibacterial agents PFIZER INC. (US) 2016-05-17 — — US disclosed
EP-2167492-B1 NOVEL AMIDE DERIVATIVE FOR INHIBITING THE GROWTH OF CANCER CELLS HANMI SCIENCE CO LTD (KR) 2015-10-14 — — EP disclosed
US-20140206651-A1 Hydroxamic Acid Derivatives Useful As Antibacterial Agents PFIZER INC. (US) 2014-07-24 — — US disclosed
US-8722686-B2 Hydroxamic acid derivatives useful as antibacterial agents PFIZER INC. (US) 2014-05-13 — — US disclosed
US-8722686-B2 Hydroxamic acid derivatives useful as antibacterial agents PFIZER INC. (US) 2014-05-13 — — US disclosed
US-8722686-B2 Hydroxamic acid derivatives useful as antibacterial agents PFIZER INC. (US) 2014-05-13 — — US disclosed
US-8546404-B2 Compounds that are ERK inhibitors MERCK SHARP & DOHME (US) 2013-10-01 — — US disclosed
EP-1854792-A1 1-(2H)-ISOQUINOLONE DERIVATIVE CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2007-11-14 — — EP disclosed
US-20070232610-A1 Novel compounds that are ERK inhibitors SCHERING CORPORATION 2007-10-04 — — US disclosed
US-20070232610-A1 Novel compounds that are ERK inhibitors SCHERING CORPORATION 2007-10-04 — — US disclosed
US-20070232610-A1 Novel compounds that are ERK inhibitors SCHERING CORPORATION 2007-10-04 — — US disclosed
WO-2007097937-A1 PYRROLIDINE DERIVATIVES AS ERK INHIBITORS SCHERING CORPORATION (US) 2007-08-30 — — WO disclosed
US-20070191604-A1 Novel compounds that are ERK inhibitors SCHERING CORPORATION 2007-08-16 — — US disclosed
US-20070191604-A1 Novel compounds that are ERK inhibitors SCHERING CORPORATION 2007-08-16 — — US disclosed
US-20070191604-A1 Novel compounds that are ERK inhibitors SCHERING CORPORATION 2007-08-16 — — US disclosed
WO-2007070398-A1 POLYCYCLIC INDAZOLE DERIVATIVES THAT ARE ERK INHIBITORS SCHERING CORPORATION (US) 2007-06-21 — — WO disclosed
US-20060160803-A1 Cinnamide and hydrocinnamide derivatives with kinase inhibitory activity MILLENNIUM PHARMACEUTICALS, INC. (US) 2006-07-20 — — 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 (6 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-20140206651-A1 Hydroxamic Acid Derivatives Useful As Antibacterial Agents HCAR1, H1-0, HDAC1 ALDH1A1 272/4885TSHR 1664/4885DRD2 4641/4885
US-20060160803-A1 Cinnamide and hydrocinnamide derivatives with kinase inhibitory activity MAP3K21, HIPK4, MAP3K20 ALDH1A1 2863/4885TSHR 4724/4885DRD2 4865/4885
US-20070191604-A1 Novel compounds that are ERK inhibitors MAPK1, MAPK4, MAPKAPK2 ALDH1A1 342/4885TSHR 3724/4885DRD2 2964/4885
US-20170369418-A1 POLYMERIZABLE POLAR COMPOUND, LIQUID CRYSTAL COMPOSITION, AND LIQUID CRYSTAL DISPLAY ELEMENT SP1, SPIN1, SAV1 ALDH1A1 3267/4885TSHR 3425/4885DRD2 428/4885
US-20070232610-A1 Novel compounds that are ERK inhibitors MAPK1, MAPK4, MAPKAPK2 ALDH1A1 342/4885TSHR 3724/4885DRD2 2964/4885
US-20180179443-A1 POLYMERIZABLE POLAR COMPOUND, LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY DEVICE C1S, CCND1, C5 ALDH1A1 2615/4885TSHR 4050/4885DRD2 29/4885

“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.