SCHEMBL2354786

SCHEMBL2354786

C1CCOOC1.CC(=O)OC(C)C

nearest known ligand 0.64

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.64
CHRM2 P08172 1/20 0.34
CHRM4 P08173 1/20 0.34
CHRM1 P11229 1/20 0.34
TBXA2R P21731 1/20 0.34
GALR3 O60755 1/20 0.33
MAPT P10636 1/20 0.33
BLM P54132 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
HCAR2 Q8TDS4 1/20 0.31

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
Tetrahydrofuran SCHEMBL2502942 0.86 TSHR (0.64) TSHRCHRM2CHRM4CHRM1TBXA2R
Cyclohexane SCHEMBL6963396 0.83 TSHR (0.82) TSHRCHRM2CHRM4CHRM1TBXA2R
Cyclohexane SCHEMBL1659384 0.83 TSHR (0.82) TSHRCHRM2CHRM4CHRM1TBXA2R
SCHEMBL9744403 0.82 TSHR (0.39) TSHRHCAR2
Dioxane SCHEMBL1741544 0.81 TSHR (0.70) TSHRCHRM2CHRM4CHRM1TBXA2R
SCHEMBL21064874 0.80 TSHR (1.00) TSHRCHRM2CHRM4CHRM1TBXA2R
SCHEMBL19193 0.80
Ammonia Solution, Strong SCHEMBL5086843 0.77
SCHEMBL4431010 0.77 TSHR (0.93) TSHRCHRM2CHRM4CHRM1TBXA2R
Hydrochloric Acid SCHEMBL2107550 0.77

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3880305-A1 A CRYSTALLINE FORM OF 3- ( (L-VALYL) AMINO) -1-PROPANESULFONIC ACID Risen (Suzhou) Pharma Tech Co., Ltd. (CN) 2021-09-22 EP claimed
WO-2020098492-A1 A CRYSTALLINE FORM OF 3- ( (L-VALYL) AMINO) -1-PROPANESULFONIC ACID Risen (Suzhou) Pharma Tech Co., Ltd. (CN) 2020-05-22 WO claimed
CN-115385918-A Novel midazolam crystal form and preparation method thereof 成都硕德药业有限公司 2022-11-25 CN disclosed
EP-3880305-A1 A CRYSTALLINE FORM OF 3- ( (L-VALYL) AMINO) -1-PROPANESULFONIC ACID Risen (Suzhou) Pharma Tech Co., Ltd. (CN) 2021-09-22 EP disclosed
WO-2020098492-A1 A CRYSTALLINE FORM OF 3- ( (L-VALYL) AMINO) -1-PROPANESULFONIC ACID Risen (Suzhou) Pharma Tech Co., Ltd. (CN) 2020-05-22 WO disclosed
US-8916581-B2 (S)-N-methylnaltrexone PROGENICS PHARMACEUTICALS, INC. (US) 2014-12-23 US disclosed
EP-1928882-B1 (S)-N-METHYLNALTREXONE, PROCESS FOR ITS SYNTHESIS AND ITS PHARMACEUTICAL USE PROGENICS PHARM INC (US) 2013-09-04 EP disclosed
US-20120136019-A1 (S)-N-METHYLNALTREXONE PROGENICS PHARMACEUTICALS, INC. (US) 2012-05-31 US disclosed
EP-2450360-A2 (S)-N-Methylnaltrexone Progenics Pharmaceuticals, Inc. (US) 2012-05-09 EP disclosed
US-8003794-B2 (S)-N-methylnaltrexone PROGENICS PHARMACEUTICALS, INC. (US) 2011-08-23 US disclosed
US-20100105911-A1 (S)-N-methylnal trexone ALBANY MOLECULAR RESEARCH, INC. 2010-04-29 US disclosed
US-7563899-B2 (S)-N-methylnaltrexone PROGENICS PHARMACEUTICALS, INC. (US) 2009-07-21 US disclosed
EP-1928882-A2 (S)-N-METHYLNALTREXONE, PROCESS FOR ITS SYNTHESIS AND ITS PHARMACEUTICAL USE PROGENICS PHARMACEUTICALS, INC. (US) 2008-06-11 EP disclosed
US-20070265293-A1 Opioid antagonists; lyophilization PROGENICS PHARMACEUTICAIS, INC. 2007-11-15 US disclosed
WO-2006127898-A2 (S)-N-METHYLNALTREXONE, PROCESS FOR ITS SYNTHESIS AND ITS PHARMACEUTICAL USE PROGENICS PHARMACEUTICALS, INC. (US) 2006-11-30 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 (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-20100105911-A1 (S)-N-methylnal trexone TSNAX, MTX1, MTX2 TSHR 1371/4885CHRM2 1075/4885CHRM4 629/4885
US-20070265293-A1 Opioid antagonists; lyophilization OPRM1, OGFR, OPRL1 TSHR 1691/4885CHRM2 449/4885CHRM4 243/4885
US-20120136019-A1 (S)-N-METHYLNALTREXONE OPRM1, OPRL1, LPXN TSHR 1450/4885CHRM2 131/4885CHRM4 75/4885

“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.