SCHEMBL5238342

SCHEMBL5238342

CC1(C(=O)O)COB(c2ccccc2)OC1

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 2/20 0.41
LIPG Q9Y5X9 2/20 0.37
LPL P06858 1/20 0.37
P4HB P07237 1/20 0.36
FFAR3 O14843 1/20 0.35
THRB P10828 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
AKR1C1 Q04828 1/20 0.32
POLB P06746 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
LMNA P02545 1/20 0.31
CETP P11597 1/20 0.30
MEN1 O00255 1/20 0.30
KMT2A Q03164 1/20 0.30
F2 P00734 1/20 0.30
F11 P03951 1/20 0.30
PRSS1 P07477 1/20 0.30
PRSS2 P07478 1/20 0.30
PRSS3 P35030 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
SCHEMBL2274567 0.79 LPL (0.42) LIPGLPLP4HB
SCHEMBL5529616 0.78 LPL (0.34) LIPGLPLP4HBMEN1KMT2A
SCHEMBL10136962 0.75 EPHX1 (0.42) LIPGLPLP4HBTDP1LMNA
SCHEMBL18467899 0.72 LPL (0.44) LIPGLPLP4HB
SCHEMBL19905011 0.72 LPL (0.44) LIPGLPLP4HB
SCHEMBL8083423 0.70 TSHR (0.41) P4HB
SCHEMBL1818873 0.69 MAPK1 (0.41) MAPK1FFAR3AKR1C1LMNAMEN1
SCHEMBL27921959 0.69 LIPG (0.50) LIPGLPLP4HBF11
SCHEMBL26648626 0.69 LIPG (0.59) MAPK1LIPGLPLP4HBMEN1
SCHEMBL22580783 0.69 ALDH1A1 (0.41) MAPK1TDP1LMNAMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1658295-B1 REGIOSELECTIVE SYNTHESIS OF CCI-779 WYETH CORP (US) 2007-06-20 EP claimed
US-7153957-B2 Regioselective synthesis of CCI-779 WYETH (US) 2006-12-26 US claimed
EP-1658295-A2 REGIOSELECTIVE SYNTHESIS OF CCI-779 Wyeth (US) 2006-05-24 EP claimed
WO-2005016935-A2 REGIOSELECTIVE SYNTHESIS OF CCI-779 WYETH (US) 2005-02-24 WO claimed
US-20050033046-A1 Regioselective synthesis of CCI-779 WYETH 2005-02-10 US claimed
EP-2662376-B1 PROCESS FOR PREPARING TORISEL TIANJIN WEIJIE TECHNOLOGY CO LTD (CN) 2016-11-30 EP disclosed
US-9018373-B2 Method for preparing temsirolimus TIANJIN WEIJIE TECHNOLOGY CO., LTD. (CN) 2015-04-28 US disclosed
EP-2662377-B1 PROCESS FOR SYNTHESIS OF TORISEL TIANJIN WEIJIE TECHNOLOGY CO LTD (CN) 2015-03-04 EP disclosed
US-8822678-B2 Method for synthesizing temsirolimus Tianjin Wiejie Technology Co., Ltd. (CN) 2014-09-02 US disclosed
EP-2662377-A1 PROCESS FOR SYNTHESIS OF TORISEL Tianjin Weijie Technology Co., Ltd. (CN) 2013-11-13 EP disclosed
EP-2662376-A1 PROCESS FOR PREPARING TORISEL Tianjin Weijie Technology Co., Ltd. (CN) 2013-11-13 EP disclosed
US-20130296550-A1 METHOD FOR SYNTHESIZING TEMSIROLIMUS TIANJIN WEIJIE TECHNOLOGY CO., LTD. (CN) 2013-11-07 US disclosed
EP-1751168-A1 PROLINE CCI-779 (PROLINE-RAPAMYCIN 42-ESTER WITH 2,2-BIS (HYDROXYMETHYL) PROPIONIC ACID) AND TWO-STEP ENZYMATIC SYNTHESIS OF PROLINE CCI-779 AND CCI-779 USING MICROBIAL LIPASE Wyeth (US) 2007-02-14 EP disclosed
US-7153957-B2 Regioselective synthesis of CCI-779 WYETH (US) 2006-12-26 US disclosed
EP-1658295-A2 REGIOSELECTIVE SYNTHESIS OF CCI-779 Wyeth (US) 2006-05-24 EP disclosed
WO-2005100366-A1 PROLINE CCI-779 (PROLINE-RAPAMYCIN 42-ESTER WITH 2,2-BIS (HYDROXYMETHYL) PROPIONIC ACID) AND TWO-STEP ENZYMATIC SYNTHESIS OF PROLINE CCI-779 AND CCI-779 USING MICROBIAL LIPASE WYETH (US) 2005-10-27 WO disclosed
US-20050234086-A1 Proline CCI-779, production of and uses therefor, and two-step enzymatic synthesis of proline CCI-779 and CCI-779 WYETH (US) 2005-10-20 US disclosed
WO-2005016935-A2 REGIOSELECTIVE SYNTHESIS OF CCI-779 WYETH (US) 2005-02-24 WO disclosed
WO-2005016935-A2 REGIOSELECTIVE SYNTHESIS OF CCI-779 WYETH (US) 2005-02-24 WO disclosed
US-20050033046-A1 Regioselective synthesis of CCI-779 WYETH 2005-02-10 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 (3 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-20130296550-A1 METHOD FOR SYNTHESIZING TEMSIROLIMUS RICTOR, MTOR, MAPKAP1 MAPK1 459/4885LIPG 3308/4885LPL 4335/4885
US-20050234086-A1 Proline CCI-779, production of and uses therefor, and two-step enzymatic synthesis of proline CCI-779 and CCI-779 CYP51A1, COASY, ACSL4 MAPK1 3598/4885LIPG 431/4885LPL 47/4885
US-20050033046-A1 Regioselective synthesis of CCI-779 CCR9, CCR7, CCL11 MAPK1 2449/4885LIPG 3632/4885LPL 4048/4885

“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.