SCHEMBL1164262

SCHEMBL1164262

O=C(O)C1(CCl)CCCCC1

nearest known ligand 0.60

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CYP2C19 P33261 1/20 0.60
TBXAS1 P24557 2/20 0.36
TSHR P16473 2/20 0.35
USP2 O75604 1/20 0.35
ALDH1A1 P00352 1/20 0.35
LMNA P02545 1/20 0.35
CYP1A2 P05177 1/20 0.35
BLM P54132 1/20 0.35
CACNA2D1 P54289 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
MME P08473 4/20 0.35
AKR1C1 Q04828 1/20 0.31
FFAR3 O14843 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
SCHEMBL17791681 0.97 CYP2C19 (0.56) CYP2C19TBXAS1TSHRUSP2ALDH1A1
SCHEMBL16730622 0.92
SCHEMBL10641493 0.87
SCHEMBL11698845 0.82 CYP2C19 (0.44) CYP2C19TSHRUSP2ALDH1A1LMNA
SCHEMBL27753016 0.81 CYP2C19 (0.56) CYP2C19TBXAS1TSHRUSP2ALDH1A1
SCHEMBL9342816 0.79 CYP2C19 (0.65) CYP2C19TBXAS1TSHRUSP2ALDH1A1
SCHEMBL9183557 0.79 CYP2C19 (0.65) CYP2C19TBXAS1TSHRUSP2ALDH1A1
SCHEMBL125690 0.79 CYP2C19 (0.65) CYP2C19TBXAS1TSHRUSP2ALDH1A1
SCHEMBL9180415 0.79 CYP2C19 (0.65) CYP2C19TBXAS1TSHRUSP2ALDH1A1
SCHEMBL11699716 0.79 CYP2C19 (0.41) CYP2C19MME

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2903979-B1 NOVEL COMPOUNDS, THEIR PREPARATION AND THEIR USES INHIBIKASE THERAPEUTICS INC (US) 2020-08-19 EP claimed
US-9359376-B2 Substituted methylformyl reagents and method of using same to modify physicochemical and/or pharmacokinetic properties of compounds SPHAERA PHARMA PTE. LTD (SG) 2016-06-07 US claimed
WO-2023202604-A1 ANTIVIRAL NUCLEOSIDE ANALOGUE, AND PHARMACEUTICAL COMPOSITION AND USE THEREOF 中国科学院上海药物研究所 2023-10-26 WO disclosed
CN-109071418-B Prodrugs of amino acid derivatives 大正制药株式会社 2022-03-18 CN disclosed
US-20150266814-A1 METHODS, COMPOUNDS, AND COMPOSITIONS FOR DELIVERING 1,3-PROPANEDISULFONIC ACID BELLUS HEALTH (INTERNATIONAL) LIMITED (CH) 2015-09-24 US disclosed
US-9051248-B2 Methods, compounds, and compositions for delivering 1,3-propanedisulfonic acid BHI LIMITED PARTNERSHIP (CA) 2015-06-09 US disclosed
US-20120208850-A1 METHODS, COMPOUNDS, AND COMPOSITIONS FOR DELIVERING 1,3-PROPANEDISULFONIC ACID BELLUS HEALTH INC. (CA) 2012-08-16 US disclosed
EP-2464626-A1 METHODS, COMPOUNDS, AND COMPOSITIONS FOR DELIVERING 1,3-PROPAN ED ISULFONIC ACID Bellus Health Inc. (CA) 2012-06-20 EP disclosed
WO-2011017800-A1 METHODS, COMPOUNDS, AND COMPOSITIONS FOR DELIVERING 1,3-PROPAN ED ISULFONIC ACID BELLUS HEALTH (INTERNATIONAL) LIMITED (CH) 2011-02-17 WO disclosed
EP-0266690-A2 Method for the production of 2,2-disubstituted 3-chlorpropionic acid esters BASF Aktiengesellschaft (DE) 1988-05-11 EP 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 (2 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-20120208850-A1 METHODS, COMPOUNDS, AND COMPOSITIONS FOR DELIVERING 1,3-PROPANEDISULFONIC ACID SGMS1, GSS, HPGDS CYP2C19 1063/4885TBXAS1 746/4885TSHR 4689/4885
US-20150266814-A1 METHODS, COMPOUNDS, AND COMPOSITIONS FOR DELIVERING 1,3-PROPANEDISULFONIC ACID SGMS1, GSS, HPGDS CYP2C19 1063/4885TBXAS1 746/4885TSHR 4689/4885

“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.