Temsirolimus

Temsirolimus

SCHEMBL6851809

COC1CC2CCC(C)C(O)(O2)C(=O)C(=O)N2CCCCC2C(=O)OC(C(C)CC2CCC(OC(=O)C(C)(CO)CO)C(OC)C2)CC(=O)C(C)/C=C(\C)C(O)C(OC)C(=O)C(C)CC(C)/C=C/C=C/C=C/1C

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Full drug profile on Sugi Atlas →

Known targets — ChEMBL curated mechanism

FKBP1A

The experimentally established mechanism targets of Temsirolimus. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
FKBP1A known ✓ P62942 8/20 0.84
MTOR P42345 8/20 1.00
ABCC3 O15438 2/20 1.00
ABCC4 O15439 2/20 1.00
ABCB11 O95342 2/20 1.00
ABCC2 Q92887 2/20 1.00
KCNE1 P15382 1/20 0.85
KCNQ1 P51787 1/20 0.85
RPTOR Q8N122 1/20 0.85
MLST8 Q9BVC4 1/20 0.85
MAPT P10636 3/20 0.84
ALDH1A1 P00352 1/20 0.84
DYRK1B Q9Y463 1/20 0.83

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
Temsirolimus SCHEMBL14655780 1.00 MTOR (1.00) MTORABCC3ABCC4ABCB11ABCC2
Temsirolimus SCHEMBL12731651 1.00 MTOR (1.00) MTORABCC3ABCC4ABCB11ABCC2
Temsirolimus SCHEMBL16848395 1.00 MTOR (1.00) MTORABCC3ABCC4ABCB11ABCC2
Temsirolimus SCHEMBL799689 1.00 MTOR (1.00) MTORABCC3ABCC4ABCB11ABCC2
Temsirolimus SCHEMBL13610010 1.00 MTOR (1.00) MTORABCC3ABCC4ABCB11ABCC2
Temsirolimus SCHEMBL18931150 1.00 MTOR (1.00) MTORABCC3ABCC4ABCB11ABCC2
Temsirolimus SCHEMBL16848394 1.00 MTOR (1.00) MTORABCC3ABCC4ABCB11ABCC2
Temsirolimus SCHEMBL19666839 1.00 MTOR (1.00) MTORABCC3ABCC4ABCB11ABCC2
Temsirolimus SCHEMBL21960607 1.00 MTOR (1.00) MTORABCC3ABCC4ABCB11ABCC2
Temsirolimus SCHEMBL18792 1.00 MTOR (1.00) MTORABCC3ABCC4ABCB11ABCC2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220169703-A1 NOVEL FUSION MOLECULES AND USES THEREOF FOUNDATION MEDICINE, INC. (US) 2022-06-02 US disclosed
US-20160009785-A1 NOVEL FUSION MOLECULES AND USES THEREOF FOUNDATION MEDICINE, INC. 2016-01-14 US disclosed
US-20160009785-A1 NOVEL FUSION MOLECULES AND USES THEREOF FOUNDATION MEDICINE, INC. 2016-01-14 US disclosed
US-20140038920-A1 TFEB PHOSPHORYLATION INHIBITORS AND USES THEREOF FONDAZIONE TELETHON (IT) 2014-02-06 US disclosed
US-20140038920-A1 TFEB PHOSPHORYLATION INHIBITORS AND USES THEREOF FONDAZIONE TELETHON (IT) 2014-02-06 US disclosed
US-8524893-B2 Process for the preparation of temsirolimus and its intermediates FRESENIUS KABI ONCOLOGY LIMITED (IN) 2013-09-03 US disclosed
US-8470297-B1 FDG-pet evaluation of Ewing's sarcoma sensitivity MERCK SHARP & DOHME CORP. (US) 2013-06-25 US disclosed
US-8470297-B1 FDG-pet evaluation of Ewing's sarcoma sensitivity MERCK SHARP & DOHME CORP. (US) 2013-06-25 US disclosed
WO-2012120048-A1 TFEB PHOSPHORYLATION INHIBITORS AND USES THEREOF FONDAZIONE TELETHON (IT) 2012-09-13 WO disclosed
US-8216571-B2 Fully human anti-VEGF antibodies and methods of using SCHERING CORPORATION (US) 2012-07-10 US disclosed
US-20110301189-A1 STABLE PHARMACEUTICAL COMPOSITIONS OF RAPAMYCIN ESTERS FRESENIUS KABI ONCOLOGY LTD. (IN) 2011-12-08 US disclosed
US-20110184167-A1 PROCESS FOR THE PREPARATION OF TEMSIROLIMUS AND ITS INTERMEDIATES FRESENIUS KABI ONCOLOGY LIMITED (IN) 2011-07-28 US disclosed
US-20110097340-A1 FULLY HUMAN ANTI-VEGF ANTIBODIES AND METHODS OF USING XOMA TECHNOLOGY LTD. 2011-04-28 US disclosed
US-20110014117-A1 ANTI-IGF1R 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 (7 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-20110097340-A1 FULLY HUMAN ANTI-VEGF ANTIBODIES AND METHODS OF USING VEGFA, KDR, FLT4 FKBP1A 3006/4885MTOR 2908/4885ABCC3 4500/4885
US-20220169703-A1 NOVEL FUSION MOLECULES AND USES THEREOF RPS27A, CD2BP2, FGB FKBP1A 2639/4885MTOR 4823/4885ABCC3 3954/4885
US-20110014117-A1 ANTI-IGF1R IGF1R, IGFBP1, IGFBP2 FKBP1A 1717/4885MTOR 1805/4885ABCC3 3731/4885
US-20140038920-A1 TFEB PHOSPHORYLATION INHIBITORS AND USES THEREOF TFEB, SQSTM1, ULK1 FKBP1A 2105/4885MTOR 8/4885ABCC3 3827/4885
US-20110301189-A1 STABLE PHARMACEUTICAL COMPOSITIONS OF RAPAMYCIN ESTERS RICTOR, MTOR, RPTOR FKBP1A 76/4885MTOR 2/4885ABCC3 3262/4885
US-20160009785-A1 NOVEL FUSION MOLECULES AND USES THEREOF RPS27A, CD2BP2, FGB FKBP1A 2639/4885MTOR 4823/4885ABCC3 3954/4885
US-20110184167-A1 PROCESS FOR THE PREPARATION OF TEMSIROLIMUS AND ITS INTERMEDIATES RICTOR, MTOR, MAPKAP1 FKBP1A 226/4885MTOR 2/4885ABCC3 4506/4885

“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.